BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50189019 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 UIARLYUEJFELEN-LROUJFHJSA-N 50308060 16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaen-3-one::CEP-701::CHEMBL603469::US11370779, Compound CEP-701 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 55 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308060&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 2V9 5WNJ,4OTG 126565 104162421 CHEMBL603469 5672 ZINC03781738 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50177851 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 88 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50185815 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- XZXHXSATPCNXJR-ZIADKAODSA-N 50026612 BIBF-1120::Nintedanib::US10981896, Compound Nintedanib::US11046672, Nintedanib::US11208381, Nintedanib::Vargatef Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3.6 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026612&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search XIN 5MAF,6NEC,3C7Q,5TE0 9809715 277286638 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50196612 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 BMGQWWVMWDBQGC-IIFHNQTCSA-N 50326053 CHEMBL608533::PKC-412 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326053&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 2K2 4NCT 9829523 123105168 63452 CHEMBL608533 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251949 NNC(=O)CC(=O)NCc1ccco1 InChI=1S/C8H11N3O3/c9-11-8(13)4-7(12)10-5-6-2-1-3-14-6/h1-3H,4-5,9H2,(H,10,12)(H,11,13) VJWVBRNWJVWDSV-UHFFFAOYSA-N 50035655 CHEMBL3338470 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 18460 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035655&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715303 313066653 CHEMBL3338470 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251950 NNC(=O)CC(=O)Nc1ccc(cc1)C(O)=O InChI=1S/C10H11N3O4/c11-13-9(15)5-8(14)12-7-3-1-6(2-4-7)10(16)17/h1-4H,5,11H2,(H,12,14)(H,13,15)(H,16,17) PWNDVCGSRGYOLJ-UHFFFAOYSA-N 50035656 CHEMBL1986389 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3860 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035656&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 385917 313066654 CHEMBL1986389 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251951 NNC(=O)CC(=O)Nc1ccccc1C(O)=O InChI=1S/C10H11N3O4/c11-13-9(15)5-8(14)12-7-4-2-1-3-6(7)10(16)17/h1-4H,5,11H2,(H,12,14)(H,13,15)(H,16,17) RDTWSCVXBKAORI-UHFFFAOYSA-N 50035657 CHEMBL3338469 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 7320 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035657&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12594528 313066655 CHEMBL3338469 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251952 NNC(=O)CC(=O)Nc1ccc(cc1)S(O)(=O)=O InChI=1S/C9H11N3O5S/c10-12-9(14)5-8(13)11-6-1-3-7(4-2-6)18(15,16)17/h1-4H,5,10H2,(H,11,13)(H,12,14)(H,15,16,17) IUYUGXHHCXGLOO-UHFFFAOYSA-N 50035658 CHEMBL3338468 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 7590 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035658&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715302 313066656 CHEMBL3338468 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251953 CCCc1ccc(NC(=O)CC(=O)NN)cc1 InChI=1S/C12H17N3O2/c1-2-3-9-4-6-10(7-5-9)14-11(16)8-12(17)15-13/h4-7H,2-3,8,13H2,1H3,(H,14,16)(H,15,17) SJVWMOMPMLJKOY-UHFFFAOYSA-N 50035659 CHEMBL3338467 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 9040 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035659&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715301 313066657 CHEMBL3338467 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251954 CCCCc1ccc(NC(=O)CC(=O)NN)cc1 InChI=1S/C13H19N3O2/c1-2-3-4-10-5-7-11(8-6-10)15-12(17)9-13(18)16-14/h5-8H,2-4,9,14H2,1H3,(H,15,17)(H,16,18) RLXWUFAYVBLGRG-UHFFFAOYSA-N 50035660 CHEMBL3338466 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 26510 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035660&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715300 313066658 CHEMBL3338466 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251955 CCN(CC)c1ccc(NC(=O)CC(=O)NN)cc1 InChI=1S/C13H20N4O2/c1-3-17(4-2)11-7-5-10(6-8-11)15-12(18)9-13(19)16-14/h5-8H,3-4,9,14H2,1-2H3,(H,15,18)(H,16,19) QWXZGIKDFPTPGT-UHFFFAOYSA-N 50035661 CHEMBL3338465 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 13130 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035661&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715299 313066659 CHEMBL3338465 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251956 COc1ccc(NC(=O)CC(=O)NN)c(OC)c1 InChI=1S/C11H15N3O4/c1-17-7-3-4-8(9(5-7)18-2)13-10(15)6-11(16)14-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16) ICHLLRLIFBFYJN-UHFFFAOYSA-N 50035662 CHEMBL3338464 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 5250 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035662&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715298 313066660 CHEMBL3338464 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251957 COc1ccc(OC)c(NC(=O)CC(=O)NN)c1 InChI=1S/C11H15N3O4/c1-17-7-3-4-9(18-2)8(5-7)13-10(15)6-11(16)14-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16) QCOHZURXHYOPSA-UHFFFAOYSA-N 50035663 CHEMBL3338463 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 7010 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035663&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715297 313066661 CHEMBL3338463 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251958 NNC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 InChI=1S/C9H9Cl2N3O2/c10-6-2-1-5(3-7(6)11)13-8(15)4-9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16) CDWTZLKDVZCXPZ-UHFFFAOYSA-N 50035664 CHEMBL3338462 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 9210 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035664&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 25238874 312528630 CHEMBL3338462 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251959 NNC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 InChI=1S/C9H9Cl2N3O2/c10-5-1-6(11)3-7(2-5)13-8(15)4-9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16) WOPXPHQUGUJFPO-UHFFFAOYSA-N 50035665 CHEMBL3338461 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 7680 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035665&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715296 313066662 CHEMBL3338461 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251960 NNC(=O)CC(=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O InChI=1S/C9H9N5O6/c10-12-9(16)4-8(15)11-6-2-1-5(13(17)18)3-7(6)14(19)20/h1-3H,4,10H2,(H,11,15)(H,12,16) MDDMSIGYAFCMTN-UHFFFAOYSA-N 50035666 CHEMBL3338460 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 6380 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035666&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 118715295 313066663 CHEMBL3338460 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251961 NNC(=O)CC(=O)Nc1ccc(cc1)[N+]([O-])=O InChI=1S/C9H10N4O4/c10-12-9(15)5-8(14)11-6-1-3-7(4-2-6)13(16)17/h1-4H,5,10H2,(H,11,14)(H,12,15) VFFJIROOAWEDNS-UHFFFAOYSA-N 50035667 CHEMBL3338459 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 10790 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035667&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 14203723 313066664 CHEMBL3338459 C02125 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251962 NNC(=O)CC(=O)Nc1cccc(c1)[N+]([O-])=O InChI=1S/C9H10N4O4/c10-12-9(15)5-8(14)11-6-2-1-3-7(4-6)13(16)17/h1-4H,5,10H2,(H,11,14)(H,12,15) LILNCOUKTJYKBK-UHFFFAOYSA-N 50035668 CHEMBL3338458 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 12480 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035668&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 14203722 313066665 CHEMBL3338458 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251963 NNC(=O)CC(=O)Nc1ccccc1[N+]([O-])=O InChI=1S/C9H10N4O4/c10-12-9(15)5-8(14)11-6-3-1-2-4-7(6)13(16)17/h1-4H,5,10H2,(H,11,14)(H,12,15) FKXQZMHDYHWJOP-UHFFFAOYSA-N 50035669 CHEMBL3338457 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 22870 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035669&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 14203721 313066666 CHEMBL3338457 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50251964 NNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1 InChI=1S/C9H9ClFN3O2/c10-6-3-5(1-2-7(6)11)13-8(15)4-9(16)14-12/h1-3H,4,12H2,(H,13,15)(H,14,16) WUXLQGUKVVFHTI-UHFFFAOYSA-N 50035670 CHEMBL3338456 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3530 ChEMBL 10.1016/j.bmcl.2014.09.080 10.7270/Q29G5PDS 25442308 Naqvi, A; Malasoni, R; Srivastava, A; Pandey, RR; Dwivedi, AK CSIR-Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035670&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 25239176 313066667 CHEMBL3338456 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50668175 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 ZCBUQCWBWNUWSU-SFHVURJKSA-N 17055 (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione::(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione::K00587a::LY 333531::LY-333531::LY333531::Ruboxistaurin::cid_153999 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17055&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search LY4 2J2I,1UU3 153999 46517285 5263 ZINC03812168 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50668243 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 CTNPALGJUAXMMC-PMFHANACSA-N 31095 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholino-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU-14813::cid_10138259 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 320 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31095&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10138259 252615339 ZINC18825344 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50668345 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1 InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3 BCZUAADEACICHN-UHFFFAOYSA-N 60589 6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline (4)::BDBM50355498 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60589&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search SX8 3DKF,3DKG 16187854 24782328 DB08584 ZINC15962404 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50668426 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 XQVVPGYIWAGRNI-JOCHJYFZSA-N 25121 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide::BI 2536::CHEMBL513909::US10450297, Example 300::US8598172, 5 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25121&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search R78 4OGI,6MF9,6BQQ,7K0U,2RKU,6CW0,7LAI,4O74,4PY6,4I5M,5TCM,5C8G,5VBQ,7L9G,7L9L,7N7M 11364421 56374263 CHEMBL513909 5666 ZINC13986815 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50666162 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) JOOXLOJCABQBSG-UHFFFAOYSA-N 50332294 CHEMBL1287853::N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide::US10112907, Example 00018::US10730860, TABLE 1.3::US10766894, Compound TABLE 1.3::US11203595, TABLE 1.3::US11384069, Example T-5 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 100 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332294&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 2TA 4OGJ,4PS5,6VNE 16722836 123111409 CHEMBL1287853 5716 ZINC19862646 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50667756 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 BIIVYFLTOXDAOV-YVEFUNNKSA-N 5655 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one::CHEMBL428690::Flavopiridol::US10294218, Example Flavopiridol::US9617225, Flavopiridol Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5655&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search CPB 1C8K,1E1Y,3BLR,3EBP,4O71 5287969 8035270 CHEMBL428690 DB03496 5680 ZINC21288966 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50669159 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) MLDQJTXFUGDVEO-UHFFFAOYSA-N 16673 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide::4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid::BAY 43-9006::BAY 439006::BAY439006::CHEMBL1336::Hit compound, 8::Nexavar::Sorafenib::Sorafenib, 4::US10183928, Sorafenib::US10202365, Compound Sorafenib::US10227329, Compound Sorafenib::US10584114, Compound Sorafenib::US10774070, Compound Sorafenib::US10980809, Example Sorafenib::US11279688, Compound Sorafenib::US11505527, Compound Sorafenib::US9029401, Sorafenib::US9469639, Sorafenib::US9902709, Comparative example 1::Xarelto::cid_216239 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16673&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search BAX 3GCS,4ASD,3WZE,5HI2,3HEG,1UWH,1UWJ,3RGF 216239 46516901 50924 CHEMBL1336 DB00398 5711 ZINC01493878 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50669436 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 KTEIFNKAUNYNJU-GFCCVEGCSA-N 50306682 (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine::3-(2,6-dichloro-3-fluorobenzyloxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine::3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine::CHEMBL601719::CRIZOTINIB::PF-2341066::US10370379, Crizotinib::US10543199, Compound Crizotinib::US10780082, Compound Crizotinib::US11059827, Compound Crizotinib::US11517561, Compound Crizotinib::US9126941, PF-2341066::US9199944, Crizotinib::US9226923, Crizotinib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306682&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search VGH 2YFX,5AAA,5AAC,5AAB,4ANS,4ANQ,2XP2,2WGJ,3ZBF,4C9W,6IMZ 11626560 104161043 64310 CHEMBL601719 DB08700 4903 ZINC35902489 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50666634 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) AXRCEOKUDYDWLF-UHFFFAOYSA-N 50128285 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione::CHEMBL300138 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128285&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 176167 104020050 CHEMBL300138 5693 ZINC01494900 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50685161 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) OUSFTKFNBAZUKL-UHFFFAOYSA-N 5931 BMS-387072::CHEMBL296468::N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide::N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide::cid_3025986 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5931&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 56H 5D1J 3025986 8035540 CHEMBL296468 5670 ZINC03816409 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50689621 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) WJEOLQLKVOPQFV-UHFFFAOYSA-N 50355495 CHEMBL1908391 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355495&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search G65 7TVX,5MQL,7JU7 10074640 136959519 63450 CHEMBL1908391 ZINC34177219 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50679689 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33) QYZOGCMHVIGURT-UHFFFAOYSA-N 26300 2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide::CHEMBL215152::cid_16007391::pyrazoloquinazoline deriv., 34 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26300&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search YJA 4C2V 16007391 56464737 CHEMBL215152 5663 ZINC16697102 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50685260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24) GFMMXOIFOQCCGU-UHFFFAOYSA-N 50132260 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide::2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide::CHEMBL105442::CI-1040::PD-18435::PD-184352::US8575391, 341 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132260&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 6918454 104023279 CHEMBL105442 5676 ZINC01489691 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50688401 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) HHFBDROWDBDFBR-UHFFFAOYSA-N 31093 4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid::4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid::BDBM31832::CHEMBL259084::MLN-8054::cid_11712649 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31093&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search ZZL 2X81,5IA1,2WTW,2WTV 11712649 252615338 CHEMBL259084 5696 ZINC18825334 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50691266 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1 KGPGFQWBCSZGEL-ZDUSSCGKSA-N 25013 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol::GSK-690693::GSK690693::US10550114, Compound GSK690693 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3.2 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25013&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search G93 3D0E,5U94 16725726 56374157 5196 ZINC34285211 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50669706 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 UJLAWZDWDVHWOW-YPMHNXCESA-N 50193995 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile::CHEMBL221959::CP-690550::TOFACITINIB CITRATE::Tofacitinib::Tofacitinib citrate (1)::US10112907, Example 00035::US10399979, Compound Tofacitinib::US10766894, Compound TABLE 1.20::US10875847, Compound Tofacitinib::US11078206, Example Tofacitinib::US11203595, TABLE 1.20::US11339167, Example Tofacitinib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50193995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50193995&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search MI1 3LXK,3LXN,4OTI,3EYG,3FUP 9926791 104076339 71200 CHEMBL221959 DB08183 5677 ZINC03818808 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50677075 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N 5445 CHEMBL554::GW572016::LAPATINIB DITOSYLATE::Lapatinib::N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine::N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine::Tykerb::US10507209, Compound Lapatinib::US10822334, Compound Lapatinib::US9730934, Lapatinib ditosylate::cid_208908 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5445&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search FMM 1XKK,3BBT 208908 8035064 49603 CHEMBL554 DB01259 5692 ZINC01550477 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50682713 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) MFAQYJIYDMLAIM-UHFFFAOYSA-N 36409 2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol, PP242::CID24905147::US10172858, Table 2.1::US9828378, # 1 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2900 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36409&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search P2X 4JT5 24905147 117643995 ZINC36056301 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50672757 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 WCWUXEGQKLTGDX-LLVKDONJSA-N 50184807 (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol::(R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol::BMS-540215::CHEMBL377300 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184807&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 11234052 104069124 CHEMBL377300 5671 ZINC13684256 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50678565 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) NHHQJBCNYHBUSI-UHFFFAOYSA-N 60665 BDBM50249542::US9145414, R406::US9212178, R406 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 34 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60665&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 585 3PIY,3FQS 11213558 316921779 DB07159 ZINC13555629 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50679900 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42) SEJGTFPOEJWEGG-UHFFFAOYSA-N 50355504 CHEMBL1908393 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355504&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 57399640 136959528 CHEMBL1908393 ZINC73140828 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50682858 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) MVCOAUNKQVWQHZ-UHFFFAOYSA-N 13533 1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea::1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea::3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB 796::BIRB-796::BIRB-796, 3::CHEMBL103667::D3RKN_73::Doramapimod::US11407771, Compound 43::US8933228, BIRB 796::US9187470, 43 (BIRB-796)::US9242960, BIRB 796::US9260410, BIRB796::cid_156422::diaryl urea compound 10 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13533&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search B96 4JVG,1KV2,6GTT,5N66,4TWN,3NPC,3FZS 156422 46513934 CHEMBL103667 DB03044 5668 ZINC24044436 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50685488 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29) SHPFDGWALWEPGS-UHFFFAOYSA-N 50355494 CHEMBL1908396 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355494&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9869779 136959518 CHEMBL1908396 ZINC13975055 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50691511 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) ZBNZXTGUTAYRHI-UHFFFAOYSA-N 13216 BMS-354825::CHEMBL1421::DASATINIB::N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide::N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide::US10294227, Code Dasatinib::cid_3062316::med.21724, Compound Dasatinib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13216&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 1N1 5BVW,5OWR,6FNM,6BSD,5I9Y,2ZVA,3OCT,7ERK,3QLG,3SXR,7N9G,4XLI,3OHT,2Y6O,3LFA,4XEY,2GQG,3K54,3G5D,4QMS,5VCV,5H2U 3062316 46513626 49375 CHEMBL1421 DB01254 5678 ZINC21982951 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50670020 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34) HZTYDQRUAWIZRE-UHFFFAOYSA-N 27817 2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide::pyrrolo[2,3-d]pyrimidine deriv., 40 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27817&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 25182616 57560329 5683 ZINC43202844 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50672972 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) QQWUGDVOUVUTOY-UHFFFAOYSA-N 482158 BDBM50242742::TAE684 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1200 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=482158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=482158&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 16038120 443551321 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50675766 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) GUBJNPWVIUFSTR-UHFFFAOYSA-N 50355499 CHEMBL1908395::CHEMBL1908842 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 170 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355499&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 11676971 136959523 CHEMBL1908842CHEMBL1908395 ZINC38226716 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50675793 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 TUVCWJQQGGETHL-UHFFFAOYSA-N 25045 3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol::3-(4-morpholin-4-ylpyrido[3 ,2 :4,5]furo[3,2-d]pyrimidin-2-yl)phenol::3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol::3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenol::3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-4-yl]phenol::CHEMBL538346::PI-103::US9637488, PI-103::cid_9884685::mTOR Inhibitor, PI103::pyridofuropyrimidine derivative, 2 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25045&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search X6K 2X6K,4L23,4JT6 9884685 56374189 CHEMBL538346 5701 ZINC03963016 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50677265 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 ULXXDDBFHOBEHA-CWDCEQMOSA-N 50322823 (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide::AFATINIB::CHEMBL1173655::US10085983, Compound BIBW2992::US10196365, Afatinib::US10435400, Compound BIBW2992::US9388170, Afatinib::US9890168, Compound BIBW2992::WO2022090481, Example afatinib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322823&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 0WM 4G5J 10184653 104144352 61390 CHEMBL1173655 DB08916 5667 ZINC03976838 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50677306 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) OVPNQJVDAFNBDN-UHFFFAOYSA-N 24654 4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-pyrazole-3,4-diamido::AT7519::JMC514986 Compound 33::pyrazole diamide, 33 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24654&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search LZE 7AGA,2VU3 11338033 56269605 5662 ZINC16052857 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50680084 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1 ZHJGWYRLJUCMRT-QGZVFWFLSA-N 50355500 CHEMBL1908394::US9695172, GSK461364 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355500&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 15983966 136959524 CHEMBL1908394 ZINC43154472 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50680115 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) UXXQOJXBIDBUAC-UHFFFAOYSA-N 13535 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide::4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide::4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide::4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide::CHEMBL124660::MLN-518::MLN518::N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide::cid_3038522 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13535&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 3038522 46513936 CHEMBL124660 DB05465 ZINC03966243 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50673040 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 HFNKQEVNSGCOJV-OAHLLOKOSA-N 50355501 INCB-018424::RUXOLITINIB::RUXOLITINIB PHOSPHATE::US10112907, Example 00016::US10766894, Compound TABLE 1.1::US10875847, Compound JAKAFI::US11203595, TABLE 1.1::US11279703, TABLE 6.147 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 4200 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355501&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search RXT 6VNK,6WTN,6VGL,4U5J,7F3G 25126798 136959525 66919 DB08877 ZINC43207851 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50690341 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 87 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50673118 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 BPNUQXPIQBZCMR-IBGZPJMESA-N 15138 5-indazolyl pyridine 11g::5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole::A-674563::Biochemistry 469551 Compound 11::indazole-pyridine, 7 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15138&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search SS3 2UZT 11314340 46515449 DB08568 5655 ZINC16052569 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50690473 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1 OYONTEXKYJZFHA-SSHUPFPWSA-N 50242737 (R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one::CHEMBL450786::PHA-665752::TCMDC-125885 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242737&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10461815 104099202 CHEMBL450786 5700 ZINC03938668 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50677510 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34) YABJJWZLRMPFSI-UHFFFAOYSA-N 31088 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine::1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine::CHIR-265::[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine::cid_11656518 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31088&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 55J 5CT7 11656518 252615336 5674 ZINC18710085 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50678998 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25) ZNOLRTPMNMPLHY-UHFFFAOYSA-N 50309910 CHEMBL608154::ML-120B::N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309910&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9929127 104164271 CHEMBL608154 5694 ZINC06717113 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50673319 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) JRNJNYBQQYBCLE-UHFFFAOYSA-N 12621 2,4-Diamino-5-ketopyrimidine 39::5-[(2,3-difluoro-6-methoxyphenyl)carbonyl]-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine::R547::[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=12621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=12621&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search LIA 2FVD 6918852 46513075 DB08094 5707 ZINC13983251 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50677615 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24) UJIAQDJKSXQLIT-UHFFFAOYSA-N 25084 3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]phenol::JMC504279 Compound 6::TG100-115 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25084&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search B6J 5WNK 10427712 56374226 5715 ZINC06718666 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50679035 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) KTUFNOKKBVMGRW-UHFFFAOYSA-N 13530 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide::CHEMBL941::Gleevec::Imatinib::Imatinib, 21::N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide::STI-571::STI571::US10906896, Cpd imatinib::US11649218, Example Imatinib::US9255107, Imatinib::cid_5291::imatinib-CD3::med.21724, Compound 6 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13530&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search STI 6HD6,6HD4,2HYY,4BKJ,2PL0,3GVU,6NPU,6NPV,6NPE,4CSV,3MS9,3MSS,4R7I,7N9G,2OIQ,1IEP,1XBB,3HEC,1T46,3FW1,3PYY,6VXH,6JOL,3K5V,5MQT,3OEZ,6KTN,1OPJ 5291 46513933 45783 CHEMBL941 DB00619 5687 ZINC19632618 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50691901 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) CYOHGALHFOKKQC-UHFFFAOYSA-N 50355497 AZD-6244::CHEMBL1614701 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355497&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 3EW 4U7Z,7JUZ,7JUT,7M0T 10127622 136959521 CHEMBL1614701 ZINC31773258 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50676269 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) PIQCTGMSNWUMAF-UHFFFAOYSA-N 25118 (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril::4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one::CHEMBL522892::CHIR-258 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 300 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25118&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9886808 56374260 CHEMBL522892 5962 ZINC03816310 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50676376 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) CDMGBJANTYXAIV-UHFFFAOYSA-N 13336 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-{4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine::CHEMBL10::SB-203580::SB203580::cid_176155 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13336&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 1A9U,1PME,2EWA 176155 46513744 CHEMBL10 5269 ZINC96006137 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50683486 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) XGALLCVXEZPNRQ-UHFFFAOYSA-N 5447 CHEMBL939::GEFITINIB::Iressa::N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine::N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine::US10106508, Gefitinib::US10507209, Compound Gefitinib::US9416123, Gefitinib::US9730934, Gefitinib::US9783524, Gefitinib::WO2022090481, Example gefitinib::ZD1839::cid_123631 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5447&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 2ITO,2ITY,2ITZ 123631 8035066 49668 CHEMBL939 DB00317 4941 ZINC19632614 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50690744 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) LHNIIDJUOCFXAP-UHFFFAOYSA-N 25028 4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine::GDC-0941::GDC0941::US10112932, pictilisib::US10851091, Compound pictilisib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25028&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search GD9 3DBS,2Y3A,2WXP 17755052 56374172 65326 ZINC16052714 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50679214 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ JWNPDZNEKVCWMY-VQHVLOKHSA-N 50161957 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180022::HKI-272::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide::NERATINIB::US10822334, Compound Neratinib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161957&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9915743 104048227 CHEMBL180022 5686 ZINC03916214 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50680615 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ RITAVMQDGBJQJZ-FMIVXFBMSA-N 25117 AG-013736::AXITINIB::N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide::US10464902, Axitinib::US9205078, Axitinib ::US9617222, Compound A Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25117&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 6450551 56374259 66910 5659 ZINC03816287 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50683647 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) CVWXJKQAOSCOAB-UHFFFAOYSA-N 50300690 1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morpholin-4-Yl)ethoxy]imidazo[2,1-B][1,3]benzothiazol-2-Yl}phenyl)urea::AC 010220::AC 220::AC-220::AC010220::AC220::ASP-2689::CHEMBL576982::N-(5-tert-Butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea::Quizartinib::Quizartinib (AC220)::US10266535, Compound AC220::US11542261, Compound quizartinib::US9216997, Quizartinib (positive compound) Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300690&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search P30 4XUF,4RT7 24889392 104155051 CHEMBL576982 5658 ZINC43204002 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50686281 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) GCIKSSRWRFVXBI-UHFFFAOYSA-N 13534 CHEMBL572878::N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide::N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide::VX-680::VX680::cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2200 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13534&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search VX6 2F4J,6GR9,6BRJ,3E5A,4ZOG,4B8M,5WNM,3AMB,4JBQ,4AF3,2XYN 5494449 46513935 CHEMBL572878 5718 ZINC03820040 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50687994 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) AAKJLRGGTJKAMG-UHFFFAOYSA-N 5446 CHEMBL553::ERLOTINIB HYDROCHLORIDE::Erlotinib::Erotinib::N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride::N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine::OSI-774::Tarceva::US10189853, erlotinib::US10507209, Compound Erlotinib::US11524945, Compound Erlotinib::US9409845, Table 1, Compound 22: erlotinib::US9730934, Erlotinib::WO2022090481, Example erlotinib::cid_176870 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5446&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search AQ4 4HJO,6DWN,1M17 176870 8035065 114785 CHEMBL553 DB00530 4920 ZINC01546066 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50692239 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2 RIGIGAFKKVBACY-UHFFFAOYSA-N 25628 2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-ol::AR00341677::CHEMBL525191::GDC-0879 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25628&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 91448975 56412918 CHEMBL525191 ZINC34640412 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50676650 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) UBPYILGKFZZVDX-UHFFFAOYSA-N 4552 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile::4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile::BOSUTINIB::CHEMBL288441::SKI-606 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 5500 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4552&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search DB8 6OP9,5AJQ,4MXO,4MXY,4MXX,4MXZ,3SOA,5VC3,6FDY,5I9X,3UE4,4QMN,5VCY 5328940 8034215 39112 CHEMBL288441 DB06616 5710 ZINC22448983 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50680768 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) VAARYSWULJUGST-UHFFFAOYSA-N 6568 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one::CHEMBL386051::PD-173955::PD173955::US11136333, Compound PD173955 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=6568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=6568&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search P17 1M52,5IA3 447077 8036145 49791 CHEMBL386051 DB02567 5699 ZINC02047743 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50682341 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H VEPKQEUBKLEPRA-UHFFFAOYSA-N 15244 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-a]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one::5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one::VX-745::VX745::cid_3038525 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15244&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 52P 3ZSI,3HP5,3FC1 3038525 46515551 DB07138 ZINC13493055 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50680899 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) YCOYDOIWSSHVCK-UHFFFAOYSA-N 4851 (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine::(A) PTK787::CGP 79787::CHEMBL101253::CHEMBL75232::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine::PTK-787::PTK787::ZK222584::cid_151194 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4851&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 151194 8034494 CHEMBL75232CHEMBL101253 DB04879 6052 ZINC00007460 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50695447 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24) MYQAUKPBNJWPIE-UHFFFAOYSA-N 32362 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine::GW-2580::[2-amino-5-(3-methoxy-4-p-anisyloxy-benzyl)pyrimidin-4-yl]amine::cid_11617559 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32362&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search MUJ 4AT5 11617559 252615797 5685 ZINC13985942 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50696824 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) MPVGZUGXCQEXTM-UHFFFAOYSA-N 21079 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea::1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea::1-[4-(3-azanyl-1H-indazol-4-yl)phenyl]-3-(2-fluoranyl-5-methyl-phenyl)urea::3-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea::ABT-869::Aminoindazole, 3::CHEMBL223360::cid_11485656 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21079&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 11485656 49689152 CHEMBL223360 5657 ZINC06718813 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50695540 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) OMZCMEYTWSXEPZ-UHFFFAOYSA-N 4779 CHEMBL31965::CHEMBL545315::CI-1033::Canertinib::N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide::PD0183805::US10507209, Compound CI-1033::US9730934, CI-1033::cid_156414 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4779&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 156414 8034429 61399 CHEMBL31965CHEMBL545315 DB05424 5675 ZINC27439698 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50696988 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) CUIHSIWYWATEQL-UHFFFAOYSA-N 26474 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide::GW-786034::JMC514632 Compound 13::Pazopanib::cid_10113978 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26474&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10113978 56464911 71219 DB06589 5698 ZINC11617039 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50695708 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ YYLKKYCXAOBSRM-JXMROGBWSA-N 50355496 CHEMBL1908397 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 240 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355496&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 11427553 136959520 CHEMBL1908397 ZINC43201999 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50697328 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28) RAHBGWKEPAQNFF-UHFFFAOYSA-N 24773 AMG 706::AMG-706::Motesanib::N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide::N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide::N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide::N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide::US10464902, Motesanib::cid_11667893 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24773&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 706 3EFL 11667893 56269724 51098 5660 ZINC18710082 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50694753 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) YZDJQTHVDDOVHR-UHFFFAOYSA-N 25617 N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide::PLX4720 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25617&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 324 3C4C,4WO5 24180719 56412907 DB06999 5703 ZINC39059267 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50694796 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) PSPFQEBFYXJZEV-UHFFFAOYSA-N 25919 BMS-345541::BMS345541::CHEMBL471496::N-(2-aminoethyl)-3,12-dimethyl-2,5,8-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-amine Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2400 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25919&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9813758 56413207 CHEMBL471496 5669 ZINC13285379 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50697646 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3 XXJWYDDUDKYVKI-UHFFFAOYSA-N 50331096 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline::CHEMBL491473::Cediranib::US10464902, Cediranib::ZD-2171 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331096&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9933475 123110211 CHEMBL491473 DB04849 5664 ZINC03948085 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50693586 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) UHTHHESEBZOYNR-UHFFFAOYSA-N 21 CHEMBL24828::N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine::VANDETANIB::ZD-6474::ZD6474::cid_3081361 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search ZD6 2IVU 3081361 8030012 49960 CHEMBL24828 DB08764 ZINC03834198 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50693676 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) ODPGGGTTYSGTGO-UHFFFAOYSA-N 31085 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea::1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea::1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea::AST-487::cid_11409972 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31085&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 11409972 252615335 5661 ZINC23247639 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50693699 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) HHZIURLSWUIHRB-UHFFFAOYSA-N 50237710 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide::AMN 107::AMN107::CHEMBL255863::NILOTINIB::US11649218, Example Nilotinib Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237710&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search NIL 5MO4,3CS9,3GP0 644241 104056419 52172 CHEMBL255863 DB04868 5697 ZINC06716957 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929418 C1CC1c1cc(Nc2ccnc(n2)-c2cccnc2)[nH]n1 InChI=1S/C15H14N6/c1-2-11(9-16-6-1)15-17-7-5-13(19-15)18-14-8-12(20-21-14)10-3-4-10/h1-2,5-10H,3-4H2,(H2,17,18,19,20,21) VGGLCLRJOAFYQO-UHFFFAOYSA-N 50381105 CHEMBL2017720 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 202 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381105&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689606 160860188 CHEMBL2017720 ZINC84596543 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929419 CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(Cl)ccn2)nc(n1)-c1ccccc1 InChI=1S/C21H23ClN6/c1-27(2)17-9-11-28(14-17)20-13-19(24-18-12-16(22)8-10-23-18)25-21(26-20)15-6-4-3-5-7-15/h3-8,10,12-13,17H,9,11,14H2,1-2H3,(H,23,24,25,26)/t17-/m1/s1 OEMKIVSYIQBSIJ-QGZVFWFLSA-N 50381106 CHEMBL2017870 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 176 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381106&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 46898076 160860189 CHEMBL2017870 ZINC84619252 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929420 Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1 InChI=1S/C17H14N6/c1-11-10-15(23-22-11)20-17-13-4-2-3-5-14(13)19-16(21-17)12-6-8-18-9-7-12/h2-10H,1H3,(H2,19,20,21,22,23) LGWDGIALCCNBQU-UHFFFAOYSA-N 50293701 CHEMBL549536::N-(5-methyl-1H-pyrazol-3-yl)-2-(pyridin-4-yl)quinazolin-4-amine Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1350 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50293701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50293701&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 9901007 104135252 CHEMBL549536 ZINC34019276 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929421 C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1 InChI=1S/C19H16N6/c1-2-4-15-14(3-1)19(22-17-11-16(24-25-17)12-5-6-12)23-18(21-15)13-7-9-20-10-8-13/h1-4,7-12H,5-6H2,(H2,21,22,23,24,25) ZUTXVYDXDZGDRK-UHFFFAOYSA-N 50381107 CHEMBL2017707 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 322 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381107&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70693802 160860190 CHEMBL2017707 ZINC84587141 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929422 Fc1ccc(cc1)-c1nc(Nc2ccn[nH]2)c2ccccc2n1 InChI=1S/C17H12FN5/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(22-16)21-15-9-10-19-23-15/h1-10H,(H2,19,20,21,22,23) REUDMXPMMLBGBT-UHFFFAOYSA-N 50381108 CHEMBL2017708 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 453 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381108&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70693803 160860191 CHEMBL2017708 ZINC84587144 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929423 Cc1cc(Nc2nc(nc3ccccc23)-c2ccc(F)cc2)[nH]n1 InChI=1S/C18H14FN5/c1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-10H,1H3,(H2,20,21,22,23,24) CPRAZTHDRGGAFK-UHFFFAOYSA-N 50381109 CHEMBL2017709 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1162 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381109&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70687546 160860192 CHEMBL2017709 ZINC84596817 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929424 Fc1ccc(cc1)-c1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1 InChI=1S/C20H16FN5/c21-14-9-7-13(8-10-14)19-22-16-4-2-1-3-15(16)20(24-19)23-18-11-17(25-26-18)12-5-6-12/h1-4,7-12H,5-6H2,(H2,22,23,24,25,26) UNZSDXRINAKFIJ-UHFFFAOYSA-N 50381110 CHEMBL2017710 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 223 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381110&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70681209 160860193 CHEMBL2017710 ZINC84596962 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929425 C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 InChI=1S/C20H17N5/c1-2-6-14(7-3-1)19-21-16-9-5-4-8-15(16)20(23-19)22-18-12-17(24-25-18)13-10-11-13/h1-9,12-13H,10-11H2,(H2,21,22,23,24,25) ZEBQWHPMCNQVSA-UHFFFAOYSA-N 50381111 CHEMBL2017711 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 440 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381111&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10268287 160860194 CHEMBL2017711 ZINC38441613 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929426 C1CC1c1cc(Nc2nc(NC3CCCCC3)nc3ccccc23)[nH]n1 InChI=1S/C20H24N6/c1-2-6-14(7-3-1)21-20-22-16-9-5-4-8-15(16)19(24-20)23-18-12-17(25-26-18)13-10-11-13/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H3,21,22,23,24,25,26) BMZPYOBSEOUYRV-UHFFFAOYSA-N 50381112 CHEMBL2017712 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 107 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381112&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70687547 160860195 CHEMBL2017712 ZINC84596963 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929427 C(Nc1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1)C1CC1 InChI=1S/C18H20N6/c1-2-4-14-13(3-1)17(22-18(20-14)19-10-11-5-6-11)21-16-9-15(23-24-16)12-7-8-12/h1-4,9,11-12H,5-8,10H2,(H3,19,20,21,22,23,24) FTXPSVKBMQSINX-UHFFFAOYSA-N 50381113 CHEMBL2017713 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 428 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381113&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70693804 160860196 CHEMBL2017713 ZINC84617242 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929428 Fc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C16H14FN5/c17-12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10/h3-10H,1-2H2,(H2,18,19,20,21,22) HNXZOWROIBLYSK-UHFFFAOYSA-N 50381114 CHEMBL2017714 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 375 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381114&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70683296 160860197 CHEMBL2017714 ZINC84618317 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929429 NC(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C17H16N6O/c18-16(24)11-2-1-3-12(8-11)17-19-7-6-14(21-17)20-15-9-13(22-23-15)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,24)(H2,19,20,21,22,23) XESDAULTUOUYHW-UHFFFAOYSA-N 50381115 CHEMBL2017715 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 384 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381115&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689605 160860198 CHEMBL2017715 ZINC84596964 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929430 CS(=O)(=O)Nc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C17H18N6O2S/c1-26(24,25)23-13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11,23H,5-6H2,1H3,(H2,18,19,20,21,22) FYTPLMUJRNLUPI-UHFFFAOYSA-N 50381116 CHEMBL2017716 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 393 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381116&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70681210 160860199 CHEMBL2017716 ZINC84636066 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929431 CS(=O)(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C17H17N5O2S/c1-25(23,24)13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20,21,22) ZAODASWQXIXXRK-UHFFFAOYSA-N 50381117 CHEMBL2017717 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 86 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381117&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70695925 160860200 CHEMBL2017717 ZINC84634454 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929432 CS(=O)(=O)NCc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C18H20N6O2S/c1-27(25,26)20-11-12-2-4-14(5-3-12)18-19-9-8-16(22-18)21-17-10-15(23-24-17)13-6-7-13/h2-5,8-10,13,20H,6-7,11H2,1H3,(H2,19,21,22,23,24) PAJKWVSSOAMVSC-UHFFFAOYSA-N 50381118 CHEMBL2017718 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 241 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381118&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70681211 160860201 CHEMBL2017718 ZINC84634104 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929433 N#Cc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C17H14N6/c18-10-11-2-1-3-13(8-11)17-19-7-6-15(21-17)20-16-9-14(22-23-16)12-4-5-12/h1-3,6-9,12H,4-5H2,(H2,19,20,21,22,23) FHHGZDHFDOSYOK-UHFFFAOYSA-N 50381119 CHEMBL2017719 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 87 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381119&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70685404 160860202 CHEMBL2017719 ZINC84634519 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929434 C1CC1c1cc(Nc2ccnc(NC3CCCCC3)n2)[nH]n1 InChI=1S/C16H22N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h8-12H,1-7H2,(H3,17,18,19,20,21,22) QISLXMFBZJOAMQ-UHFFFAOYSA-N 50381120 CHEMBL2017721 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 84 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381120&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689607 160860203 CHEMBL2017721 ZINC84634525 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929435 CC(C)CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C15H22N6/c1-10(2)5-7-16-15-17-8-6-13(19-15)18-14-9-12(20-21-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H3,16,17,18,19,20,21) YJXMRNIXSATUOH-UHFFFAOYSA-N 50381121 CHEMBL2017722 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 354 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381121&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70683297 160860204 CHEMBL2017722 ZINC84634527 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929436 C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 InChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23) OIMKFLPRSBFHMX-UHFFFAOYSA-N 50381122 CHEMBL2017723 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 715 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381122&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70695926 160860205 CHEMBL2017723 ZINC84587414 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929437 Fc1cccc(CCNc2nccc(Nc3cc(n[nH]3)C3CC3)n2)c1 InChI=1S/C18H19FN6/c19-14-3-1-2-12(10-14)6-8-20-18-21-9-7-16(23-18)22-17-11-15(24-25-17)13-4-5-13/h1-3,7,9-11,13H,4-6,8H2,(H3,20,21,22,23,24,25) OQQNZQAJQCETFT-UHFFFAOYSA-N 50381123 CHEMBL2017724 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 74 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381123&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70691734 160860206 CHEMBL2017724 ZINC84634529 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929438 Clc1ccccc1CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1 InChI=1S/C18H19ClN6/c19-14-4-2-1-3-12(14)7-9-20-18-21-10-8-16(23-18)22-17-11-15(24-25-17)13-5-6-13/h1-4,8,10-11,13H,5-7,9H2,(H3,20,21,22,23,24,25) UEQIBRYPDWTFJX-UHFFFAOYSA-N 50381124 CHEMBL2017725 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 64 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381124&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70691735 160860207 CHEMBL2017725 ZINC84633258 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929439 C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)C1CC1 InChI=1S/C14H18N6/c1-2-9(1)8-16-14-15-6-5-12(18-14)17-13-7-11(19-20-13)10-3-4-10/h5-7,9-10H,1-4,8H2,(H3,15,16,17,18,19,20) YKVKVDCVYMCZOW-UHFFFAOYSA-N 50381125 CHEMBL2017726 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 217 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381125&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689608 160860208 CHEMBL2017726 ZINC84635462 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929440 C1CC1c1cc(Nc2ccnc(NC3CCCC3)n2)[nH]n1 InChI=1S/C15H20N6/c1-2-4-11(3-1)17-15-16-8-7-13(19-15)18-14-9-12(20-21-14)10-5-6-10/h7-11H,1-6H2,(H3,16,17,18,19,20,21) GBEKNGRAOMTVOH-UHFFFAOYSA-N 50381126 CHEMBL2017727 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 115 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381126&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689609 160860209 CHEMBL2017727 ZINC84635821 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929441 CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 InChI=1S/C20H25N7/c1-27(2)11-10-21-17-13-18(22-19-12-16(25-26-19)14-8-9-14)24-20(23-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,21,22,23,24,25,26) GTNGLDDJVMYWNV-UHFFFAOYSA-N 50381127 CHEMBL2017728 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 88 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381127&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70685405 160860210 CHEMBL2017728 ZINC84635823 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929442 CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 InChI=1S/C21H25N7/c1-27-9-11-28(12-10-27)20-14-18(22-19-13-17(25-26-19)15-7-8-15)23-21(24-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,22,23,24,25,26) DPQONKTXXSIFKR-UHFFFAOYSA-N 50381128 CHEMBL2017729 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 121 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381128&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70695927 160860211 CHEMBL2017729 ZINC84635824 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929443 CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2ccccc2)CC1 InChI=1S/C23H29N7/c1-30-11-9-16(10-12-30)15-24-20-14-21(25-22-13-19(28-29-22)17-7-8-17)27-23(26-20)18-5-3-2-4-6-18/h2-6,13-14,16-17H,7-12,15H2,1H3,(H3,24,25,26,27,28,29) FCNWQYLAHXYKOI-UHFFFAOYSA-N 50381129 CHEMBL2017730 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 55 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381129&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70695928 160860212 CHEMBL2017730 ZINC84635825 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929444 CN1CCC(CC1)Nc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 InChI=1S/C22H27N7/c1-29-11-9-17(10-12-29)23-19-14-20(24-21-13-18(27-28-21)15-7-8-15)26-22(25-19)16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3,(H3,23,24,25,26,27,28) OSJXAIWPWZTJND-UHFFFAOYSA-N 50381130 CHEMBL2017731 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 73 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381130&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689610 160860213 CHEMBL2017731 ZINC84635828 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929445 CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 InChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1 PQICVAXZZYDYLU-QGZVFWFLSA-N 50381131 CHEMBL2017732 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 53 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381131&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70687548 160860214 CHEMBL2017732 ZINC84596332 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929446 C(CN1CCCC1)Oc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 InChI=1S/C22H26N6O/c1-2-6-17(7-3-1)22-24-19(23-20-14-18(26-27-20)16-8-9-16)15-21(25-22)29-13-12-28-10-4-5-11-28/h1-3,6-7,14-16H,4-5,8-13H2,(H2,23,24,25,26,27) OCGINCPWVLXZTE-UHFFFAOYSA-N 50381132 CHEMBL2017733 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 56 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381132&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70683298 160860215 CHEMBL2017733 ZINC84596334 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929447 CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N InChI=1S/C23H26N8/c1-30(2)18-8-9-31(14-18)22-12-20(25-21-11-19(28-29-21)16-6-7-16)26-23(27-22)17-5-3-4-15(10-17)13-24/h3-5,10-12,16,18H,6-9,14H2,1-2H3,(H2,25,26,27,28,29)/t18-/m1/s1 DADDNXVLEUVZRM-GOSISDBHSA-N 50381133 CHEMBL2017734 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 56 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381133&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70689611 160860216 CHEMBL2017734 ZINC84596489 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929448 CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N InChI=1S/C21H24N8/c1-29(2)9-8-23-18-12-19(24-20-11-17(27-28-20)15-6-7-15)26-21(25-18)16-5-3-4-14(10-16)13-22/h3-5,10-12,15H,6-9H2,1-2H3,(H3,23,24,25,26,27,28) WMODXSKMIFEZMW-UHFFFAOYSA-N 50381134 CHEMBL2017735 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 39 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381134&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70693805 160860217 CHEMBL2017735 ZINC84619478 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929449 CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)C#N)CC1 InChI=1S/C24H28N8/c1-32-9-7-16(8-10-32)15-26-21-13-22(27-23-12-20(30-31-23)18-5-6-18)29-24(28-21)19-4-2-3-17(11-19)14-25/h2-4,11-13,16,18H,5-10,15H2,1H3,(H3,26,27,28,29,30,31) LPXXFUOLEXGIOJ-UHFFFAOYSA-N 50381135 CHEMBL2017736 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 23 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381135&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 60150737 160860218 CHEMBL2017736 ZINC84619480 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929450 CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)S(C)(=O)=O)CC1 InChI=1S/C24H31N7O2S/c1-31-10-8-16(9-11-31)15-25-21-14-22(26-23-13-20(29-30-23)17-6-7-17)28-24(27-21)18-4-3-5-19(12-18)34(2,32)33/h3-5,12-14,16-17H,6-11,15H2,1-2H3,(H3,25,26,27,28,29,30) MSVJWTXNMZSJHD-UHFFFAOYSA-N 50381136 CHEMBL2017737 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 40 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381136&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70693806 160860219 CHEMBL2017737 ZINC84620013 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929451 CN(C)[C@@H]1CCN(C1)c1cc(Nc2ccccn2)nc(n1)-c1cccc(c1)C#N InChI=1S/C22H23N7/c1-28(2)18-9-11-29(15-18)21-13-20(25-19-8-3-4-10-24-19)26-22(27-21)17-7-5-6-16(12-17)14-23/h3-8,10,12-13,18H,9,11,15H2,1-2H3,(H,24,25,26,27)/t18-/m1/s1 RVONZPKUQHHDTQ-GOSISDBHSA-N 50381137 CHEMBL2017738 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1990 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381137&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70685406 160860220 CHEMBL2017738 ZINC84617823 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929452 COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1 InChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1 DKYJSXUQQLLXBR-QGZVFWFLSA-N 50381138 CHEMBL2017739 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1130 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381138&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 70681212 160860221 CHEMBL2017739 ZINC84617825 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50929453 CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)-c1cccc(c1)C#N InChI=1S/C23H22F3N7/c1-32(2)18-7-9-33(14-18)21-12-20(29-19-11-17(6-8-28-19)23(24,25)26)30-22(31-21)16-5-3-4-15(10-16)13-27/h3-6,8,10-12,18H,7,9,14H2,1-2H3,(H,28,29,30,31)/t18-/m1/s1 YTYNTFQZEBYZNK-GOSISDBHSA-N 50381139 CHEMBL2017871 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 40 ChEMBL 10.1016/j.bmcl.2012.02.107 10.7270/Q22Z16JX 22469702 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D MRC Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381139&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 56956255 160860222 CHEMBL2017871 ZINC84587425 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988935 NS(=O)(=O)c1ccc(s1)-c1ncc(F)c(Nc2cc([nH]n2)C2CC2)n1 InChI=1S/C14H13FN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21) AWBXPRVPFCQHOC-UHFFFAOYSA-N 50279715 CHEMBL4162544 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis <1.000000 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279715&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 50943452 406793943 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988937 COC(=O)N1CCCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C21H24ClN7O2/c1-31-21(30)29-8-2-7-28(9-10-29)20-23-16-6-5-14(22)11-15(16)19(25-20)24-18-12-17(26-27-18)13-3-4-13/h5-6,11-13H,2-4,7-10H2,1H3,(H2,23,24,25,26,27) UDLCMXSACDNFIW-UHFFFAOYSA-N 50279721 CHEMBL4162756 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 230 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279721&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816428 406793945 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988939 NC(=O)c1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C21H17ClN6O/c22-14-6-7-16-15(9-14)21(25-18-10-17(27-28-18)11-4-5-11)26-20(24-16)13-3-1-2-12(8-13)19(23)29/h1-3,6-11H,4-5H2,(H2,23,29)(H2,24,25,26,27,28) WKDGTLAIOANTRH-UHFFFAOYSA-N 50279723 CHEMBL4165949 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 15 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279723&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816434 406793947 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988942 N#Cc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1 InChI=1S/C21H16N6/c22-12-13-4-3-5-15(10-13)20-23-17-7-2-1-6-16(17)21(25-20)24-19-11-18(26-27-19)14-8-9-14/h1-7,10-11,14H,8-9H2,(H2,23,24,25,26,27) BKVJIBAADPVALB-UHFFFAOYSA-N 50279733 CHEMBL4174082 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 40 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279733&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816070 406793949 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988944 NS(=O)(=O)c1ccc(cc1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1 InChI=1S/C16H15ClN6O2S/c17-12-8-19-15(10-3-5-11(6-4-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-1-2-9/h3-9H,1-2H2,(H2,18,24,25)(H2,19,20,21,22,23) PQXLABPJDAZJCK-UHFFFAOYSA-N 50279734 CHEMBL4177445 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 13 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279734&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 58169162 406793950 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988945 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(c1)C#N InChI=1S/C21H15ClN6/c22-15-6-7-17-16(9-15)21(25-19-10-18(27-28-19)13-4-5-13)26-20(24-17)14-3-1-2-12(8-14)11-23/h1-3,6-10,13H,4-5H2,(H2,24,25,26,27,28) UASKPELCJPQDEL-UHFFFAOYSA-N 50279735 CHEMBL4173877 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 50 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279735&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816433 406793951 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988968 NS(=O)(=O)c1ccc(s1)-c1nccc(Nc2cc([nH]n2)C2CC2)n1 InChI=1S/C14H14N6O2S2/c15-24(21,22)13-4-3-10(23-13)14-16-6-5-11(18-14)17-12-7-9(19-20-12)8-1-2-8/h3-8H,1-2H2,(H2,15,21,22)(H2,16,17,18,19,20) RQBXIYXQKQNKEN-UHFFFAOYSA-N 50279743 CHEMBL4170479 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 4.0 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279743&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 50943864 406793955 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988969 NS(=O)(=O)c1ccc(s1)-c1ncc(C#N)c(Nc2cc([nH]n2)C2CC2)n1 InChI=1S/C15H13N7O2S2/c16-6-9-7-18-15(11-3-4-13(25-11)26(17,23)24)20-14(9)19-12-5-10(21-22-12)8-1-2-8/h3-5,7-8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22) VWDBOWHYYMADQM-UHFFFAOYSA-N 50279744 CHEMBL4165984 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis <2.0 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279744&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134815860 406793956 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988970 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCNCC1 InChI=1S/C19H22ClN7/c20-13-4-5-15-14(10-13)18(23-17-11-16(25-26-17)12-2-3-12)24-19(22-15)27-8-1-6-21-7-9-27/h4-5,10-12,21H,1-3,6-9H2,(H2,22,23,24,25,26) QWTWYDBLVGZMGE-UHFFFAOYSA-N 50279745 CHEMBL4166200 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 960 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279745&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816426 406793957 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988971 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(CC#N)c1 InChI=1S/C22H17ClN6/c23-16-6-7-18-17(11-16)22(26-20-12-19(28-29-20)14-4-5-14)27-21(25-18)15-3-1-2-13(10-15)8-9-24/h1-3,6-7,10-12,14H,4-5,8H2,(H2,25,26,27,28,29) WAXXXADQIVGMQO-UHFFFAOYSA-N 50279746 CHEMBL4169382 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 38 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279746&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816385 406793958 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988976 OCc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C21H18ClN5O/c22-15-6-7-17-16(9-15)21(24-19-10-18(26-27-19)13-4-5-13)25-20(23-17)14-3-1-2-12(8-14)11-28/h1-3,6-10,13,28H,4-5,11H2,(H2,23,24,25,26,27) SROZZKLIJIMKAK-UHFFFAOYSA-N 50279748 CHEMBL4170446 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 23 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279748&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816435 406793959 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988977 NC(=O)Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C22H19ClN6O/c23-15-7-8-17-16(10-15)22(26-20-11-18(28-29-20)13-5-6-13)27-21(25-17)14-3-1-12(2-4-14)9-19(24)30/h1-4,7-8,10-11,13H,5-6,9H2,(H2,24,30)(H2,25,26,27,28,29) GOIICHGFAQNWAD-UHFFFAOYSA-N 50279736 CHEMBL4162511 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 23 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279736&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816436 406793952 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988980 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(cc1)C#N InChI=1S/C21H15ClN6/c22-15-7-8-17-16(9-15)21(25-19-10-18(27-28-19)13-5-6-13)26-20(24-17)14-3-1-12(11-23)2-4-14/h1-4,7-10,13H,5-6H2,(H2,24,25,26,27,28) KCPRSPILMCRMSU-UHFFFAOYSA-N 50279724 CHEMBL4167265 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 88 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279724&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816533 406793948 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988983 NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C20H17ClN6O2S/c21-13-5-8-16-15(9-13)20(24-18-10-17(26-27-18)11-1-2-11)25-19(23-16)12-3-6-14(7-4-12)30(22,28)29/h3-11H,1-2H2,(H2,22,28,29)(H2,23,24,25,26,27) XUQQFBJTQJYWPD-UHFFFAOYSA-N 50279751 CHEMBL4162719 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 24 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279751&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816534 406793961 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988985 NS(=O)(=O)c1ccc(s1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28?,35?,36?,37-,38?,39?,40?/m1/s1 JVHYJYRMDZDSFP-MJWPMPFTSA-N 50279757 CHEMBL4166160 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis <1.000000 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279757&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134815875 104121461 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988988 N#Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1 InChI=1S/C21H16N6/c22-12-13-5-7-15(8-6-13)20-23-17-4-2-1-3-16(17)21(25-20)24-19-11-18(26-27-19)14-9-10-14/h1-8,11,14H,9-10H2,(H2,23,24,25,26,27) UHNFOKVJWUABIX-UHFFFAOYSA-N 50279742 CHEMBL4166840 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 46 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279742&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816069 406793954 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988992 NS(=O)(=O)c1cccc(c1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1 InChI=1S/C46H63N5O10/c1-29(2)22-35(39(52)26-41(54)47-31(5)43(56)48-36(23-30(3)4)40(53)27-42(55)60-6)49-44(57)37(24-32-16-10-7-11-17-32)50-45(58)38(25-33-18-12-8-13-19-33)51-46(59)61-28-34-20-14-9-15-21-34/h7-21,29-31,35-40,52-53H,22-28H2,1-6H3,(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)/t31?,35?,36?,37-,38?,39?,40?/m1/s1 WPCFURQHDKJTAG-ARVHPVHZSA-N 50279759 CHEMBL4172982 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 17 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279759&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 50943292 104121463 ZINC95606271 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988993 NS(=O)(=O)c1ccc(s1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1 InChI=1S/C14H13ClN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21) KRMDPWLIHGQVGZ-UHFFFAOYSA-N 50279763 CHEMBL4162308 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis <1.3 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279763&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search CJJ 6B2P,6B2Q 50898364 104121467 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988996 Cc1cnc(nc1Nc1cc([nH]n1)C1CC1)-c1ccc(s1)S(N)(=O)=O InChI=1S/C15H16N6O2S2/c1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21) JOLXSDWLLOKVDT-UHFFFAOYSA-N 50279773 CHEMBL4173915 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 4.0 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279773&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 50943377 104121477 ZINC36271145 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50988998 Cc1cnc(nc1Nc1cc(C2CC2)n(C)n1)-c1ccc(s1)S(N)(=O)=O InChI=1S/C16H18N6O2S2/c1-9-8-18-16(12-5-6-14(25-12)26(17,23)24)20-15(9)19-13-7-11(10-3-4-10)22(2)21-13/h5-8,10H,3-4H2,1-2H3,(H2,17,23,24)(H,18,19,20,21) LOTNRMIDRONWNB-UHFFFAOYSA-N 50279776 CHEMBL4176789 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >4000 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279776&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 68375232 104121480 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989000 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccccc1 InChI=1S/C20H16ClN5/c21-14-8-9-16-15(10-14)20(23-18-11-17(25-26-18)12-6-7-12)24-19(22-16)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,22,23,24,25,26) FWZSHVGHFOUDDF-UHFFFAOYSA-N 50279777 CHEMBL4172772 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 60 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279777&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816680 104121481 ZINC03928377 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989002 Clc1ccc2nc(NC3CCC3)nc(Nc3cc([nH]n3)C3CC3)c2c1 InChI=1S/C18H19ClN6/c19-11-6-7-14-13(8-11)17(23-18(21-14)20-12-2-1-3-12)22-16-9-15(24-25-16)10-4-5-10/h6-10,12H,1-5H2,(H3,20,21,22,23,24,25) ZHAXOKQWUHFBHX-UHFFFAOYSA-N 50279781 CHEMBL4162101 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 72 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279781&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816679 104121485 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989003 CC(C)N1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C21H26ClN7/c1-13(2)28-7-9-29(10-8-28)21-23-17-6-5-15(22)11-16(17)20(25-21)24-19-12-18(26-27-19)14-3-4-14/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,23,24,25,26,27) ROBXVLLXALFNSX-UHFFFAOYSA-N 50279782 CHEMBL4165542 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1400 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279782&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816677 104121486 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989004 CN1CCN(CCC1=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C20H22ClN7O/c1-27-8-9-28(7-6-18(27)29)20-22-15-5-4-13(21)10-14(15)19(24-20)23-17-11-16(25-26-17)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3,(H2,22,23,24,25,26) CNPWYCLWHBZOIO-UHFFFAOYSA-N 50279783 CHEMBL4164260 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 310 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279783&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816477 104121487 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989005 CC(=O)N1CCCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C21H24ClN7O/c1-13(30)28-7-2-8-29(10-9-28)21-23-17-6-5-15(22)11-16(17)20(25-21)24-19-12-18(26-27-19)14-3-4-14/h5-6,11-12,14H,2-4,7-10H2,1H3,(H2,23,24,25,26,27) PQWMHWNARCGGQC-UHFFFAOYSA-N 50279785 CHEMBL4176818 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 150 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279785&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816427 104121489 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989006 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCOCC1 InChI=1S/C19H21ClN6O/c20-13-4-5-15-14(10-13)18(22-17-11-16(24-25-17)12-2-3-12)23-19(21-15)26-6-1-8-27-9-7-26/h4-5,10-12H,1-3,6-9H2,(H2,21,22,23,24,25) JWWHVJJVQQTOPN-UHFFFAOYSA-N 50279786 CHEMBL4166603 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 150 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279786&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816473 104121490 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989007 COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1 InChI=1S/C21H26N6O/c1-28-15-8-9-17-16(12-15)20(23-19-13-18(25-26-19)14-6-7-14)24-21(22-17)27-10-4-2-3-5-11-27/h8-9,12-14H,2-7,10-11H2,1H3,(H2,22,23,24,25,26) JIGBBJLFUUUTRT-UHFFFAOYSA-N 50279793 CHEMBL4174513 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 82 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279793&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816472 104121497 989 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989008 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1 InChI=1S/C20H23ClN6/c21-14-7-8-16-15(11-14)19(23-18-12-17(25-26-18)13-5-6-13)24-20(22-16)27-9-3-1-2-4-10-27/h7-8,11-13H,1-6,9-10H2,(H2,22,23,24,25,26) MYUNZVDJOMININ-UHFFFAOYSA-N 50279799 CHEMBL4164081 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 150 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279799&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816642 104121503 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989013 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCNCC1 InChI=1S/C18H20ClN7/c19-12-3-4-14-13(9-12)17(22-16-10-15(24-25-16)11-1-2-11)23-18(21-14)26-7-5-20-6-8-26/h3-4,9-11,20H,1-2,5-8H2,(H2,21,22,23,24,25) DBXMJQFVRQOIHQ-UHFFFAOYSA-N 50279841 CHEMBL4174912 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 990 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279841&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816676 104121545 ZINC40511715 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989014 Cc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1 InChI=1S/C21H26N6/c1-14-6-9-17-16(12-14)20(23-19-13-18(25-26-19)15-7-8-15)24-21(22-17)27-10-4-2-3-5-11-27/h6,9,12-13,15H,2-5,7-8,10-11H2,1H3,(H2,22,23,24,25,26) CLMPQGVQPATTMF-UHFFFAOYSA-N 50279722 CHEMBL4170024 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 98 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279722&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816644 406793946 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989017 NC(=O)c1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C21H17ClN6O/c22-14-7-8-16-15(9-14)21(25-18-10-17(27-28-18)11-1-2-11)26-20(24-16)13-5-3-12(4-6-13)19(23)29/h3-11H,1-2H2,(H2,23,29)(H2,24,25,26,27,28) UHUGFQOKNTWXJT-UHFFFAOYSA-N 50279750 CHEMBL4159344 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 29 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279750&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816532 406793960 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989019 NS(=O)(=O)c1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 InChI=1S/C20H17ClN6O2S/c21-13-6-7-16-15(9-13)20(24-18-10-17(26-27-18)11-4-5-11)25-19(23-16)12-2-1-3-14(8-12)30(22,28)29/h1-3,6-11H,4-5H2,(H2,22,28,29)(H2,23,24,25,26,27) SRLXDMXPMLHYFH-UHFFFAOYSA-N 50279737 CHEMBL4170653 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 6.0 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279737&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816535 406793953 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989037 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(CC#N)cc1 InChI=1S/C22H17ClN6/c23-16-7-8-18-17(11-16)22(26-20-12-19(28-29-20)14-5-6-14)27-21(25-18)15-3-1-13(2-4-15)9-10-24/h1-4,7-8,11-12,14H,5-6,9H2,(H2,25,26,27,28,29) GPCMWBQIVBWEHE-UHFFFAOYSA-N 50279720 CHEMBL4177229 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 5.0 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279720&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816681 406793944 C04116 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989038 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCN(CC1)C(=O)c1ccccc1 InChI=1S/C25H24ClN7O/c26-18-8-9-20-19(14-18)23(28-22-15-21(30-31-22)16-6-7-16)29-25(27-20)33-12-10-32(11-13-33)24(34)17-4-2-1-3-5-17/h1-5,8-9,14-16H,6-7,10-13H2,(H2,27,28,29,30,31) YMKWZBLERUQBAS-UHFFFAOYSA-N 50279857 CHEMBL4176150 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 310 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279857&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816678 104121561 ZINC29317141 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989041 Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCNC(=O)CC1 InChI=1S/C19H20ClN7O/c20-12-3-4-14-13(9-12)18(23-16-10-15(25-26-16)11-1-2-11)24-19(22-14)27-7-5-17(28)21-6-8-27/h3-4,9-11H,1-2,5-8H2,(H,21,28)(H2,22,23,24,25,26) CHUCVUSICYWNDY-UHFFFAOYSA-N 50279930 CHEMBL4173464 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 190 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279930&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816476 104121634 ZINC26488614 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 50989042 Fc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1 InChI=1S/C20H23FN6/c21-14-7-8-16-15(11-14)19(23-18-12-17(25-26-18)13-5-6-13)24-20(22-16)27-9-3-1-2-4-10-27/h7-8,11-13H,1-6,9-10H2,(H2,22,23,24,25,26) DAIHDXXKJSBPCS-UHFFFAOYSA-N 50279802 CHEMBL4159392 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 81 ChEMBL 10.1021/acsmedchemlett.7b00239 10.7270/Q2183910 29259738 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279802&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 134816643 104121506 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51126093 COC(=O)\C=C\C(=O)c1ccc(OC)cc1 InChI=1S/C12H12O4/c1-15-10-5-3-9(4-6-10)11(13)7-8-12(14)16-2/h3-8H,1-2H3/b8-7+ PZFZTRCQJQJNNP-BQYQJAHWSA-N 50461791 CHEMBL4226192 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 20000 ChEMBL 10.1016/j.bmc.2018.04.045 10.7270/Q22R3V9B 29706526 Laqua, K; Klemm, M; Richard-Greenblatt, M; Richter, A; Liebe, L; Huang, T; Lin, S; Guardia, A; Pérez-Herran, E; Ballell, L; Av-Gay, Y; Imming, P Martin-Luther-Universit£t Halle-Wittenberg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50461791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50461791&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 11252976 433929056 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508547 CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20) BPRDYTQWIVJXPN-UHFFFAOYSA-N 50421671 CHEMBL5266831 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 470 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421671&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752254 164150546 CHEMBL170369 ZINC28005893 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508548 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) ZOTNSCLLJKXGSD-UHFFFAOYSA-N 50293150 CHEMBL468963::D3RKN_26::GSK screening, 38::N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine::TCMDC-138687 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 420 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50293150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50293150&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10173796 104134701 CHEMBL468963 ZINC03816526 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508549 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23) XQQZRZPTLJNMLX-UHFFFAOYSA-N 50421672 CHEMBL5316225 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 580 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421672&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 633916 164150547 CHEMBL367061 ZINC28010018 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508550 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29) JCYZLTRHOBCBBR-UHFFFAOYSA-N 50421673 CHEMBL5283441 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 290 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421673&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752274 164150548 CHEMBL172808 ZINC28019082 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508551 CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22) BVWRIFCPVVTAGI-UHFFFAOYSA-N 50421674 CHEMBL5284844 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2300 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421674&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752259 164150549 CHEMBL174309 ZINC28011895 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508552 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20) DTNHNJNHCCMWKV-UHFFFAOYSA-N 50421675 CHEMBL5266857 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2700 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421675&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752256 164150550 CHEMBL427305 ZINC28020164 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508553 CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19) XWUQANDETYXOIU-UHFFFAOYSA-N 50421676 CHEMBL5283475 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1300 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421676&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752253 164150551 CHEMBL170172 ZINC28006201 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508554 CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23) JJYVIROBSIPCFM-UHFFFAOYSA-N 50421677 CHEMBL5280561 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >12000 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421677&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752260 164150552 CHEMBL369211 ZINC28009607 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508555 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20) SOBXEJPFNNKEQO-UHFFFAOYSA-N 50421678 CHEMBL5286085 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2400 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421678&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752262 164150553 CHEMBL367218 ZINC28019927 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508556 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31) GLKZCTNWPJZDNQ-UHFFFAOYSA-N 50421679 CHEMBL5282708 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 440 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421679&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752275 164150554 CHEMBL174033 ZINC28012826 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508557 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) AXLRMDRWQOKEIY-UHFFFAOYSA-N 50421680 CHEMBL5277737 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1500 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421680&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752291 164150555 CHEMBL263732 ZINC28016906 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508558 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20) IUBBRMXOTDNDIF-UHFFFAOYSA-N 50421681 CHEMBL5273566 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421681&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752283 164150556 CHEMBL173175 ZINC28018281 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508559 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21) ROAWFYCFJHYCMG-UHFFFAOYSA-N 50421682 CHEMBL5285809 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1800 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421682&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752267 164150557 CHEMBL176489 ZINC28090107 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508560 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19) TTYRLZTWJZCYCC-UHFFFAOYSA-N 50421683 CHEMBL5283041 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1200 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421683&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752261 164150558 CHEMBL173709 ZINC28009578 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508561 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24) KJROBYOAHLBHAC-UHFFFAOYSA-N 50421684 CHEMBL5277619 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1900 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421684&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752280 164150559 CHEMBL369057 ZINC28017113 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508562 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21) CTXNPYSCDAXUNX-UHFFFAOYSA-N 50421685 CHEMBL5280226 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 700 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421685&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752278 164150560 CHEMBL368393 ZINC28019236 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508563 COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27) HETTWAYXYADCHJ-UHFFFAOYSA-N 50421686 CHEMBL5282194 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 320 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421686&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752273 164150561 CHEMBL174091 ZINC28011187 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508564 CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21) LMMYRVSIBONOSJ-UHFFFAOYSA-N 50421687 CHEMBL5277580 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 970 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421687&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 13054042 164150562 CHEMBL173901 ZINC28007478 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508565 CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20) BPRDYTQWIVJXPN-UHFFFAOYSA-N 50421671 CHEMBL5266831 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1700 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421671&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752254 164150546 CHEMBL170369 ZINC28005893 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508566 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) ZOTNSCLLJKXGSD-UHFFFAOYSA-N 50293150 CHEMBL468963::D3RKN_26::GSK screening, 38::N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine::TCMDC-138687 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1500 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50293150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50293150&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10173796 104134701 CHEMBL468963 ZINC03816526 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508567 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23) XQQZRZPTLJNMLX-UHFFFAOYSA-N 50421672 CHEMBL5316225 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421672&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 633916 164150547 CHEMBL367061 ZINC28010018 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508568 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29) JCYZLTRHOBCBBR-UHFFFAOYSA-N 50421673 CHEMBL5283441 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421673&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752274 164150548 CHEMBL172808 ZINC28019082 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508569 CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22) BVWRIFCPVVTAGI-UHFFFAOYSA-N 50421674 CHEMBL5284844 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 7900 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421674&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752259 164150549 CHEMBL174309 ZINC28011895 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508570 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20) DTNHNJNHCCMWKV-UHFFFAOYSA-N 50421675 CHEMBL5266857 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 9400 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421675&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752256 164150550 CHEMBL427305 ZINC28020164 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508571 CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19) XWUQANDETYXOIU-UHFFFAOYSA-N 50421676 CHEMBL5283475 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 4600 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421676&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752253 164150551 CHEMBL170172 ZINC28006201 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508572 CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23) JJYVIROBSIPCFM-UHFFFAOYSA-N 50421677 CHEMBL5280561 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis >40000 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421677&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752260 164150552 CHEMBL369211 ZINC28009607 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508573 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20) SOBXEJPFNNKEQO-UHFFFAOYSA-N 50421678 CHEMBL5286085 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 8100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421678&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752262 164150553 CHEMBL367218 ZINC28019927 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508574 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31) GLKZCTNWPJZDNQ-UHFFFAOYSA-N 50421679 CHEMBL5282708 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1600 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421679&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752275 164150554 CHEMBL174033 ZINC28012826 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508575 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) AXLRMDRWQOKEIY-UHFFFAOYSA-N 50421680 CHEMBL5277737 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 5100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421680&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752291 164150555 CHEMBL263732 ZINC28016906 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508576 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20) IUBBRMXOTDNDIF-UHFFFAOYSA-N 50421681 CHEMBL5273566 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3800 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421681&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752283 164150556 CHEMBL173175 ZINC28018281 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508577 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21) ROAWFYCFJHYCMG-UHFFFAOYSA-N 50421682 CHEMBL5285809 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 6100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421682&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752267 164150557 CHEMBL176489 ZINC28090107 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508578 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19) TTYRLZTWJZCYCC-UHFFFAOYSA-N 50421683 CHEMBL5283041 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 4300 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421683&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752261 164150558 CHEMBL173709 ZINC28009578 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508579 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24) KJROBYOAHLBHAC-UHFFFAOYSA-N 50421684 CHEMBL5277619 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 6600 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421684&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752280 164150559 CHEMBL369057 ZINC28017113 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508580 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21) CTXNPYSCDAXUNX-UHFFFAOYSA-N 50421685 CHEMBL5280226 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2500 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421685&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752278 164150560 CHEMBL368393 ZINC28019236 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508581 COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27) HETTWAYXYADCHJ-UHFFFAOYSA-N 50421686 CHEMBL5282194 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1200 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421686&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752273 164150561 CHEMBL174091 ZINC28011187 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508582 CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21) LMMYRVSIBONOSJ-UHFFFAOYSA-N 50421687 CHEMBL5277580 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3400 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421687&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 13054042 164150562 CHEMBL173901 ZINC28007478 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508583 CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20) BPRDYTQWIVJXPN-UHFFFAOYSA-N 50421671 CHEMBL5266831 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 61 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421671&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752254 164150546 CHEMBL170369 ZINC28005893 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508584 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) ZOTNSCLLJKXGSD-UHFFFAOYSA-N 50293150 CHEMBL468963::D3RKN_26::GSK screening, 38::N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine::TCMDC-138687 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 27 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50293150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50293150&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10173796 104134701 CHEMBL468963 ZINC03816526 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508585 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23) XQQZRZPTLJNMLX-UHFFFAOYSA-N 50421672 CHEMBL5316225 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 78 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421672&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 633916 164150547 CHEMBL367061 ZINC28010018 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508586 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29) JCYZLTRHOBCBBR-UHFFFAOYSA-N 50421673 CHEMBL5283441 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 48 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421673&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752274 164150548 CHEMBL172808 ZINC28019082 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508587 CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22) BVWRIFCPVVTAGI-UHFFFAOYSA-N 50421674 CHEMBL5284844 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2100 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421674&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752259 164150549 CHEMBL174309 ZINC28011895 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508588 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20) DTNHNJNHCCMWKV-UHFFFAOYSA-N 50421675 CHEMBL5266857 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 920 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421675&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752256 164150550 CHEMBL427305 ZINC28020164 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508589 CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19) XWUQANDETYXOIU-UHFFFAOYSA-N 50421676 CHEMBL5283475 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 1200 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421676&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752253 164150551 CHEMBL170172 ZINC28006201 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508590 CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23) JJYVIROBSIPCFM-UHFFFAOYSA-N 50421677 CHEMBL5280561 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 3000 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421677&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752260 164150552 CHEMBL369211 ZINC28009607 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508591 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20) SOBXEJPFNNKEQO-UHFFFAOYSA-N 50421678 CHEMBL5286085 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 2200 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421678&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752262 164150553 CHEMBL367218 ZINC28019927 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508592 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31) GLKZCTNWPJZDNQ-UHFFFAOYSA-N 50421679 CHEMBL5282708 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 30 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421679&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752275 164150554 CHEMBL174033 ZINC28012826 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508593 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) AXLRMDRWQOKEIY-UHFFFAOYSA-N 50421680 CHEMBL5277737 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 700 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421680&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752291 164150555 CHEMBL263732 ZINC28016906 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508594 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20) IUBBRMXOTDNDIF-UHFFFAOYSA-N 50421681 CHEMBL5273566 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 410 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421681&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752283 164150556 CHEMBL173175 ZINC28018281 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508595 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21) ROAWFYCFJHYCMG-UHFFFAOYSA-N 50421682 CHEMBL5285809 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 710 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421682&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752267 164150557 CHEMBL176489 ZINC28090107 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508596 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19) TTYRLZTWJZCYCC-UHFFFAOYSA-N 50421683 CHEMBL5283041 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 340 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421683&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752261 164150558 CHEMBL173709 ZINC28009578 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508597 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24) KJROBYOAHLBHAC-UHFFFAOYSA-N 50421684 CHEMBL5277619 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 660 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421684&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752280 164150559 CHEMBL369057 ZINC28017113 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508598 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21) CTXNPYSCDAXUNX-UHFFFAOYSA-N 50421685 CHEMBL5280226 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 73 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421685&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752278 164150560 CHEMBL368393 ZINC28019236 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508599 COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27) HETTWAYXYADCHJ-UHFFFAOYSA-N 50421686 CHEMBL5282194 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 34 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421686&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752273 164150561 CHEMBL174091 ZINC28011187 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508600 CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21) LMMYRVSIBONOSJ-UHFFFAOYSA-N 50421687 CHEMBL5277580 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 430 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421687&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 13054042 164150562 CHEMBL173901 ZINC28007478 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508619 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) ZOTNSCLLJKXGSD-UHFFFAOYSA-N 50293150 CHEMBL468963::D3RKN_26::GSK screening, 38::N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine::TCMDC-138687 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 26 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50293150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50293150&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 10173796 104134701 CHEMBL468963 ZINC03816526 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508620 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29) JCYZLTRHOBCBBR-UHFFFAOYSA-N 50421673 CHEMBL5283441 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 47 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421673&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752274 164150548 CHEMBL172808 ZINC28019082 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508621 CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19) XWUQANDETYXOIU-UHFFFAOYSA-N 50421676 CHEMBL5283475 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 430 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421676&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752253 164150551 CHEMBL170172 ZINC28006201 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508622 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19) TTYRLZTWJZCYCC-UHFFFAOYSA-N 50421683 CHEMBL5283041 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 180 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421683&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752261 164150558 CHEMBL173709 ZINC28009578 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51508623 COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27) HETTWAYXYADCHJ-UHFFFAOYSA-N 50421686 CHEMBL5282194 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis 19 ChEMBL 10.7270/Q24Q805C 35035774 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421686&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 12752273 164150561 CHEMBL174091 ZINC28011187 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,1O6Y,2FUM,2KUD,2KUE,2KUF,2KUI,5E0Y,5E0Z,5E10,5E12,5U94,6B2P Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584 51571859 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(ncc1Cl)-c1ccccc1 InChI=1S/C25H29ClN4O/c1-16(2)31-23-14-20(18-9-11-27-12-10-18)17(3)13-22(23)29-25-21(26)15-28-24(30-25)19-7-5-4-6-8-19/h4-8,13-16,18,27H,9-12H2,1-3H3,(H,28,29,30) LKRINMKLPCVYQU-UHFFFAOYSA-N 50632162 CHEMBL5440840 Serine/threonine-protein kinase PknB Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 9400 ChEMBL 10.1021/acs.jmedchem.2c01647 10.7270/Q29W0KZZ 36735271 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50632162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004854&target=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50632162&enzyme=Serine%2Fthreonine-protein+kinase+PknB&column=ki&startPg=0&Increment=50&submit=Search 1 MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ 1MRU,5U94,6B2P,2FUM,1O6Y,2KUI,5E12,5E0Z,2KUF,2KUD,2KUE,5E10,5E0Y Serine/threonine-protein kinase PknB PKNB_MYCTU P9WI81 L0T5F6 P0A5S4 P71584