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 338260 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1C InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30) MFAPRDBSWRWQBP-UHFFFAOYSA-N 188489 Triazole 1a Pantothenate kinase 9e+1 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188489&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVS 4BFS 45247184 316606120 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338261 CC(NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27) AJRDSERGUKXARL-UHFFFAOYSA-N 188490 Triazole 1b Pantothenate kinase 1.13e+3 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188490&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVT 4BFT 121237835 316606121 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338262 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29) WAMHSAKMZVUOGV-UHFFFAOYSA-N 188491 Triazole 1c Pantothenate kinase 1.5e+2 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188491&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVU 4BFU 121237836 316606122 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338263 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccccc2C)n1C InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30) AERPCBWEQRGXHO-UHFFFAOYSA-N 188492 Triazole 1d Pantothenate kinase 1.4e+2 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188492&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVV 4BFV 121237837 316606123 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338264 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37) SZVUNXFRJYHQBI-UHFFFAOYSA-N 188493 Triazole 1e Pantothenate kinase 5e+1 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188493&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVW 4BFW 121237838 316606124 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338265 CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28) OUIZIUPLGXONEI-UHFFFAOYSA-N 188494 Triazole 1f Pantothenate kinase 1.09e+3 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188494&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVX 4BFX 121237839 316606125 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338266 OC(=O)OCc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N InChI=1S/C25H24N4O3/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(30)31)15-22(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31) UNDVQNUSUHBEAL-UHFFFAOYSA-N 188495 Biaryl 2a Pantothenate kinase 1.2e+2 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188495&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search 121237840 316606126 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338267 NC(=O)COc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N InChI=1S/C25H25N5O2/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(27)31)15-22(23)17-29-11-13-30(14-12-29)24-3-1-2-10-28-24/h1-10,15H,11-14,17-18H2,(H2,27,31)/p-1 FAGXUGPDAWCMCQ-UHFFFAOYSA-M 188496 Biaryl 2b Pantothenate kinase 5.5e+2 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801781 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188496&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search 123131596 316606127 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338268 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1C InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30) MFAPRDBSWRWQBP-UHFFFAOYSA-N 188489 Triazole 1a Pantothenate kinase 5.5e+3 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188489&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVS 4BFS 45247184 316606120 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338269 CC(NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27) AJRDSERGUKXARL-UHFFFAOYSA-N 188490 Triazole 1b Pantothenate kinase >1.25e+4 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188490&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVT 4BFT 121237835 316606121 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338270 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29) WAMHSAKMZVUOGV-UHFFFAOYSA-N 188491 Triazole 1c Pantothenate kinase 1.036e+4 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188491&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVU 4BFU 121237836 316606122 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338271 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccccc2C)n1C InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30) AERPCBWEQRGXHO-UHFFFAOYSA-N 188492 Triazole 1d Pantothenate kinase 2.82e+3 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188492&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVV 4BFV 121237837 316606123 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338272 CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37) SZVUNXFRJYHQBI-UHFFFAOYSA-N 188493 Triazole 1e Pantothenate kinase 6.9e+2 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188493&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVW 4BFW 121237838 316606124 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338273 CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28) OUIZIUPLGXONEI-UHFFFAOYSA-N 188494 Triazole 1f Pantothenate kinase 1.40e+4 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188494&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZVX 4BFX 121237839 316606125 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810 338274 OC(=O)OCc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N InChI=1S/C25H24N4O3/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(30)31)15-22(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31) UNDVQNUSUHBEAL-UHFFFAOYSA-N 188495 Biaryl 2a Pantothenate kinase 1.3e+2 Curated from the literature by BindingDB 10.1074/jbc.M113.476473 10.7270/Q27H1HDX 23661699 aid1801782 Björkelid, C; Bergfors, T; Raichurkar, AK; Mukherjee, K; Malolanarasimhan, K; Bandodkar, B; Jones, TA Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7906&target=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=188495&enzyme=Pantothenate+kinase&column=ki&startPg=0&Increment=50&submit=Search 121237840 316606126 1 MSRLSEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL 2GES,2GET,2GEU,2GEV,2ZS7,2ZS8,2ZS9,2ZSA,2ZSB,2ZSD,2ZSE,2ZSF,3AEZ,3AF0,3AF1,3AF2,3AF3,3AF4,3AVO,3AVP,3AVQ,4BFS,4BFT,4BFU,4BFV,4BFW,4BFX,4BFY,4BFZ Pantothenate kinase COAA_MYCTU P9WPA7 L0T5P3 O53440 P63810