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 51036237 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C18H19N7O6/c19-14-11-15(22-6-21-14)25(7-23-11)17-13(28)12(27)10(31-17)5-20-18(30)24-16(29)8-3-1-2-4-9(8)26/h1-4,6-7,10,12-13,17,26-28H,5H2,(H2,19,21,22)(H2,20,24,29,30)/t10-,12-,13-,17-/m1/s1 HNQSCVPQTCIJPO-CNEMSGBDSA-N 50411464 CHEMBL392739 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1250 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411464&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 23730939 163360488 CHEMBL392739 ZINC28866076 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 50591750 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 SABYITLYKSVAAD-CNEMSGBDSA-N 50324670 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 2-hydroxybenzoylsulfamate::5'-O-(N-(2-hydroxybenzoyl)sulfamoyl)adenosine::5'-O-[N-(salicyl)-sulfamoyl]-adenosine::5'-O-[N-(salicyl)sulfamoyl] adenosine::5'-O-[N-(salicyl)sulfamoyl]adenosine::CHEMBL371502 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 10.7 ChEMBL 10.1038/nchembio706 10.7270/Q2BV7GV0 16407990 Ferreras, JA; Ryu, JS; Di Lello, F; Tan, DS; Quadri, LE Weill Medical College of Cornell University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324670&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search KT0 636430 117645991 CHEMBL371502 ZINC28567519 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 50874329 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccccc1 InChI=1S/C23H22N6O8S/c24-19-16-21(27-20(26-19)12-6-2-1-3-7-12)29(11-25-16)23-18(32)17(31)15(37-23)10-36-38(34,35)28-22(33)13-8-4-5-9-14(13)30/h1-9,11,15,17-18,23,31-32H,10H2,(H4,24,26,27,28,30,33)/p-1/t15-,17-,18-,23-/m1/s1 SFAOAHCYBOSXAW-CXIOKZBNSA-M 50244934 5'-O-[N-(2-Hydroxybenzoyl)sulfamoyl]-2-phenyladenosine TriethylammoniumSalt Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.00026 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244934&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91935595 104100825 ZINC44351971 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008340 CCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C24H29N9O8S/c1-2-3-4-7-13-10-33(31-29-13)24-27-20(25)17-21(28-24)32(12-26-17)23-19(36)18(35)16(41-23)11-40-42(38,39)30-22(37)14-8-5-6-9-15(14)34/h5-6,8-10,12,16,18-19,23,34-36H,2-4,7,11H2,1H3,(H,30,37)(H2,25,27,28) CJMZGXOPUWWTCE-UHFFFAOYSA-N 50412834 CHEMBL611784 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.61 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412834&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667829 163361858 CHEMBL611784 ZINC49774839 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008341 CCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C23H27N9O8S/c1-2-3-6-12-9-32(30-28-12)23-26-19(24)16-20(27-23)31(11-25-16)22-18(35)17(34)15(40-22)10-39-41(37,38)29-21(36)13-7-4-5-8-14(13)33/h4-5,7-9,11,15,17-18,22,33-35H,2-3,6,10H2,1H3,(H,29,36)(H2,24,26,27) KFZKSTNHOKKOFU-UHFFFAOYSA-N 50412835 CHEMBL612051 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.9 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412835&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674475 163361859 CHEMBL612051 ZINC49777479 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008342 CCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C22H25N9O8S/c1-2-5-11-8-31(29-27-11)22-25-18(23)15-19(26-22)30(10-24-15)21-17(34)16(33)14(39-21)9-38-40(36,37)28-20(35)12-6-3-4-7-13(12)32/h3-4,6-8,10,14,16-17,21,32-34H,2,5,9H2,1H3,(H,28,35)(H2,23,25,26) JSJDCJHVTNTWAB-UHFFFAOYSA-N 50412836 CHEMBL608840 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.6 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412836&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56677784 163361860 CHEMBL608840 ZINC49767994 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008343 CCOC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C22H23N9O10S/c1-2-39-21(36)11-7-31(29-27-11)22-25-17(23)14-18(26-22)30(9-24-14)20-16(34)15(33)13(41-20)8-40-42(37,38)28-19(35)10-5-3-4-6-12(10)32/h3-7,9,13,15-16,20,32-34H,2,8H2,1H3,(H,28,35)(H2,23,25,26) SKAWTNZJHSCDMM-UHFFFAOYSA-N 50412837 CHEMBL609103 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.2 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412837&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674781 163361861 CHEMBL609103 ZINC49777394 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008344 COC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C21H21N9O10S/c1-38-20(35)10-6-30(28-26-10)21-24-16(22)13-17(25-21)29(8-23-13)19-15(33)14(32)12(40-19)7-39-41(36,37)27-18(34)9-4-2-3-5-11(9)31/h2-6,8,12,14-15,19,31-33H,7H2,1H3,(H,27,34)(H2,22,24,25) RGXRCUAAQRMPSQ-UHFFFAOYSA-N 50412838 CHEMBL608838 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.1 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412838&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56677803 163361862 CHEMBL608838 ZINC49771539 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008345 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(CO)nn1 InChI=1S/C20H21N9O9S/c21-16-13-17(24-20(23-16)29-5-9(6-30)25-27-29)28(8-22-13)19-15(33)14(32)12(38-19)7-37-39(35,36)26-18(34)10-3-1-2-4-11(10)31/h1-5,8,12,14-15,19,30-33H,6-7H2,(H,26,34)(H2,21,23,24) ZUZVHSNGBWVGGY-UHFFFAOYSA-N 50412839 CHEMBL611774 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.90 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412839&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56677841 163361863 CHEMBL611774 ZINC49792432 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008346 Nc1nc(N=[N+]=[N-])nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C17H17N9O8S/c18-13-10-14(22-17(21-13)23-25-19)26(6-20-10)16-12(29)11(28)9(34-16)5-33-35(31,32)24-15(30)7-3-1-2-4-8(7)27/h1-4,6,9,11-12,16,27-29H,5H2,(H,24,30)(H2,18,21,22) DWDARADGXFGSJZ-UHFFFAOYSA-N 50412840 CHEMBL612046 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 5.1 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412840&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56660642 163361864 CHEMBL612046 ZINC49031680 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008347 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 SABYITLYKSVAAD-CNEMSGBDSA-N 50324670 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 2-hydroxybenzoylsulfamate::5'-O-(N-(2-hydroxybenzoyl)sulfamoyl)adenosine::5'-O-[N-(salicyl)-sulfamoyl]-adenosine::5'-O-[N-(salicyl)sulfamoyl] adenosine::5'-O-[N-(salicyl)sulfamoyl]adenosine::CHEMBL371502 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 6.6 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50324670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50324670&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search KT0 636430 117645991 CHEMBL371502 ZINC28567519 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008348 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccc(O)cc1 InChI=1S/C25H23N9O9S/c26-21-18-22(29-25(28-21)34-9-15(30-32-34)12-5-7-13(35)8-6-12)33(11-27-18)24-20(38)19(37)17(43-24)10-42-44(40,41)31-23(39)14-3-1-2-4-16(14)36/h1-9,11,17,19-20,24,35-38H,10H2,(H,31,39)(H2,26,28,29) PQWRZBDIAOCWNP-UHFFFAOYSA-N 50412841 CHEMBL611782 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.61 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412841&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56670955 163361865 CHEMBL611782 ZINC49774831 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008349 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccccc1O InChI=1S/C25H23N9O9S/c26-21-18-22(29-25(28-21)34-9-14(30-32-34)12-5-1-3-7-15(12)35)33(11-27-18)24-20(38)19(37)17(43-24)10-42-44(40,41)31-23(39)13-6-2-4-8-16(13)36/h1-9,11,17,19-20,24,35-38H,10H2,(H,31,39)(H2,26,28,29) KHCHDONDNUNTHQ-UHFFFAOYSA-N 50412842 CHEMBL612040 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.1 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412842&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56670983 163361866 CHEMBL612040 ZINC49775176 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008350 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccncc1 InChI=1S/C24H22N10O8S/c25-20-17-21(29-24(28-20)34-9-14(30-32-34)12-5-7-26-8-6-12)33(11-27-17)23-19(37)18(36)16(42-23)10-41-43(39,40)31-22(38)13-3-1-2-4-15(13)35/h1-9,11,16,18-19,23,35-37H,10H2,(H,31,38)(H2,25,28,29) GJMNRVCKMHYSIG-UHFFFAOYSA-N 50412843 CHEMBL609100 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.5 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412843&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667623 163361867 CHEMBL609100 ZINC49792428 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008351 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1cccnc1 InChI=1S/C24H22N10O8S/c25-20-17-21(29-24(28-20)34-9-14(30-32-34)12-4-3-7-26-8-12)33(11-27-17)23-19(37)18(36)16(42-23)10-41-43(39,40)31-22(38)13-5-1-2-6-15(13)35/h1-9,11,16,18-19,23,35-37H,10H2,(H,31,38)(H2,25,28,29) LIXHHNJVEBEIBO-UHFFFAOYSA-N 50412844 CHEMBL611780 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.86 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412844&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56660735 163361868 CHEMBL611780 ZINC49792691 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008352 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccccn1 InChI=1S/C24H22N10O8S/c25-20-17-21(29-24(28-20)34-9-14(30-32-34)13-6-3-4-8-26-13)33(11-27-17)23-19(37)18(36)16(42-23)10-41-43(39,40)31-22(38)12-5-1-2-7-15(12)35/h1-9,11,16,18-19,23,35-37H,10H2,(H,31,38)(H2,25,28,29) GARXBCYSBMRMIC-UHFFFAOYSA-N 50412845 CHEMBL611783 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.95 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412845&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56657216 163361869 CHEMBL611783 ZINC49792696 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008353 Nc1ccc(cc1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C25H24N10O8S/c26-13-7-5-12(6-8-13)15-9-35(33-31-15)25-29-21(27)18-22(30-25)34(11-28-18)24-20(38)19(37)17(43-24)10-42-44(40,41)32-23(39)14-3-1-2-4-16(14)36/h1-9,11,17,19-20,24,36-38H,10,26H2,(H,32,39)(H2,27,29,30) NDIZRKXYYOEKOU-UHFFFAOYSA-N 50412846 CHEMBL612041 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.88 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412846&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56664203 163361870 CHEMBL612041 ZINC49785184 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008354 Nc1cccc(c1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C25H24N10O8S/c26-13-5-3-4-12(8-13)15-9-35(33-31-15)25-29-21(27)18-22(30-25)34(11-28-18)24-20(38)19(37)17(43-24)10-42-44(40,41)32-23(39)14-6-1-2-7-16(14)36/h1-9,11,17,19-20,24,36-38H,10,26H2,(H,32,39)(H2,27,29,30) VFTAFDKAWYIJBU-UHFFFAOYSA-N 50412847 CHEMBL611775 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.63 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412847&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56677742 163361871 CHEMBL611775 ZINC49774783 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008355 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1cccc(O)c1 InChI=1S/C25H23N9O9S/c26-21-18-22(29-25(28-21)34-9-15(30-32-34)12-4-3-5-13(35)8-12)33(11-27-18)24-20(38)19(37)17(43-24)10-42-44(40,41)31-23(39)14-6-1-2-7-16(14)36/h1-9,11,17,19-20,24,35-38H,10H2,(H,31,39)(H2,26,28,29) QJEOCSDHLUOISI-UHFFFAOYSA-N 50412848 CHEMBL612052 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.57 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412848&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674538 163361872 CHEMBL612052 ZINC49785892 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004499 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(cc2O)C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C18H17F3N6O8S/c19-18(20,21)7-1-2-8(9(28)3-7)16(31)26-36(32,33)34-4-10-12(29)13(30)17(35-10)27-6-25-11-14(22)23-5-24-15(11)27/h1-3,5-6,10,12-13,17,28-30H,4H2,(H,26,31)(H2,22,23,24)/t10-,12-,13-,17-/m1/s1 RLPLRBIZBNISFV-CNEMSGBDSA-N 50411446 CHEMBL1162038 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 4380 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411446&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041945 163360470 CHEMBL1162038 ZINC28865801 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004500 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)C2CCCC2)[C@@H](O)[C@H]1O InChI=1S/C16H22N6O7S/c17-13-10-14(19-6-18-13)22(7-20-10)16-12(24)11(23)9(29-16)5-28-30(26,27)21-15(25)8-3-1-2-4-8/h6-9,11-12,16,23-24H,1-5H2,(H,21,25)(H2,17,18,19)/t9-,11-,12-,16-/m1/s1 YWWJHCPXYXIYDK-UBEDBUPSSA-N 50411447 CHEMBL1162047 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 49800 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411447&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047684 163360471 CHEMBL1162047 ZINC28865831 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004501 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Br)cc2O)[C@@H](O)[C@H]1O InChI=1S/C17H17BrN6O8S/c18-7-1-2-8(9(25)3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 LBMUMYMHOQVHIS-CNEMSGBDSA-N 50411448 CHEMBL1162036 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 21 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411448&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047712 163360472 CHEMBL1162036 ZINC28865793 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004502 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)c2coc3ccccc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C20H18N6O6/c21-17-13-18(24-7-23-17)26(8-25-13)20-16(29)15(28)12(32-20)5-22-19(30)10-6-31-11-4-2-1-3-9(11)14(10)27/h1-4,6-8,12,15-16,20,28-29H,5H2,(H,22,30)(H2,21,23,24)/t12-,15-,16-,20-/m1/s1 OXAZSNOQXCNXGQ-VXHCAWKWSA-N 50411449 CHEMBL238486 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411449&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 23730499 163360473 CHEMBL238486 ZINC28866079 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004503 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)C2CCCCC2)[C@@H](O)[C@H]1O InChI=1S/C17H24N6O7S/c18-14-11-15(20-7-19-14)23(8-21-11)17-13(25)12(24)10(30-17)6-29-31(27,28)22-16(26)9-4-2-1-3-5-9/h7-10,12-13,17,24-25H,1-6H2,(H,22,26)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 YKGGGPWTFMJIBL-CNEMSGBDSA-N 50411450 CHEMBL1162048 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 17300 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411450&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047727 163360474 CHEMBL1162048 ZINC28865834 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004504 Nc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c(O)c1 InChI=1S/C17H19N7O8S/c18-7-1-2-8(9(25)3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,17,25-27H,4,18H2,(H,23,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 FMTYDJPVHIXTIB-CNEMSGBDSA-N 50411451 CHEMBL1162039 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 40 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411451&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047714 163360475 CHEMBL1162039 ZINC28865805 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004505 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(O)c(O)c2)[C@@H](O)[C@H]1O InChI=1S/C17H18N6O9S/c18-14-11-15(20-5-19-14)23(6-21-11)17-13(27)12(26)10(32-17)4-31-33(29,30)22-16(28)7-1-2-8(24)9(25)3-7/h1-3,5-6,10,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 DPYXLUCJBXKSLW-CNEMSGBDSA-N 50411452 CHEMBL1162042 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411452&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44436283 163360476 CHEMBL1162042 ZINC28865815 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004506 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2[N+]([O-])=O)[C@@H](O)[C@H]1O InChI=1S/C17H17N7O9S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(33-17)5-32-34(30,31)22-16(27)8-3-1-2-4-9(8)24(28)29/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 OCXRXKRXIAIGOE-CNEMSGBDSA-N 50411453 CHEMBL609979 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 7320 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411453&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search B1U 25047680 163360477 CHEMBL609979 ZINC28865770 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004507 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2Cl)[C@@H](O)[C@H]1O InChI=1S/C17H17ClN6O7S/c18-9-4-2-1-3-8(9)16(27)23-32(28,29)30-5-10-12(25)13(26)17(31-10)24-7-22-11-14(19)20-6-21-15(11)24/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,23,27)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 BSSYVBONHLJKFX-CNEMSGBDSA-N 50411454 CHEMBL1162031 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 18100 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411454&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047708 163360478 CHEMBL1162031 ZINC28865767 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004508 COC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O8S/c1-24-12(21)17-27(22,23)25-2-5-7(19)8(20)11(26-5)18-4-16-6-9(13)14-3-15-10(6)18/h3-5,7-8,11,19-20H,2H2,1H3,(H,17,21)(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 GCANEUMDXPZTCI-IOSLPCCCSA-N 50411455 CHEMBL1162050 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 2500 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411455&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047703 163360479 CHEMBL1162050 ZINC28865843 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004509 Cc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c(O)c1 InChI=1S/C18H20N6O8S/c1-8-2-3-9(10(25)4-8)17(28)23-33(29,30)31-5-11-13(26)14(27)18(32-11)24-7-22-12-15(19)20-6-21-16(12)24/h2-4,6-7,11,13-14,18,25-27H,5H2,1H3,(H,23,28)(H2,19,20,21)/t11-,13-,14-,18-/m1/s1 NMDBISLFAPBKLY-XWXWGSFUSA-N 50411456 CHEMBL1162037 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 14 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411456&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041943 163360480 CHEMBL1162037 ZINC28865796 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004510 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(O)cccc2F)[C@@H](O)[C@H]1O InChI=1S/C17H17FN6O8S/c18-7-2-1-3-8(25)10(7)16(28)23-33(29,30)31-4-9-12(26)13(27)17(32-9)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,9,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1 MNXSVFWFEXFDGV-DMEFTLKTSA-N 50411457 CHEMBL1162040 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 7.3 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411457&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041947 163360481 CHEMBL1162040 ZINC28865808 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004511 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C17H18N6O7S/c18-14-11-15(20-7-19-14)23(8-21-11)17-13(25)12(24)10(30-17)6-29-31(27,28)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 UPNAPPNZDJWSPL-CNEMSGBDSA-N 50411458 CHEMBL438072 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 92 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411458&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 11583238 163360482 CHEMBL438072 ZINC28567174 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004512 N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C19H23N7O7S/c20-11(6-10-4-2-1-3-5-10)18(29)25-34(30,31)32-7-12-14(27)15(28)19(33-12)26-9-24-13-16(21)22-8-23-17(13)26/h1-5,8-9,11-12,14-15,19,27-28H,6-7,20H2,(H,25,29)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1 QGOJGCAOMCBQFJ-QTOWJTHWSA-N 50411459 CHEMBL1162053 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 36500 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411459&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search W5Y 11225648 163360483 CHEMBL1162053 ZINC28865861 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004513 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2Cl)[C@@H](O)[C@H]1O InChI=1S/C16H16ClN7O7S/c17-12-7(2-1-3-19-12)15(27)23-32(28,29)30-4-8-10(25)11(26)16(31-8)24-6-22-9-13(18)20-5-21-14(9)24/h1-3,5-6,8,10-11,16,25-26H,4H2,(H,23,27)(H2,18,20,21)/t8-,10-,11-,16-/m1/s1 FIZDMGJVEAVDQQ-YZVYYRORSA-N 50411460 CHEMBL1162045 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 175 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411460&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047725 163360484 CHEMBL1162045 ZINC28865824 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004514 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc[nH]c2=O)[C@@H](O)[C@H]1O InChI=1S/C16H17N7O8S/c17-12-9-13(20-5-19-12)23(6-21-9)16-11(25)10(24)8(31-16)4-30-32(28,29)22-15(27)7-2-1-3-18-14(7)26/h1-3,5-6,8,10-11,16,24-25H,4H2,(H,18,26)(H,22,27)(H2,17,19,20)/t8-,10-,11-,16-/m1/s1 HZMPEGZGEHWAPB-YZVYYRORSA-N 50411461 CHEMBL1162043 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3700 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411461&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041957 163360485 CHEMBL1162043 ZINC28865818 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004515 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2F)[C@@H](O)[C@H]1O InChI=1S/C16H16FN7O7S/c17-12-7(2-1-3-19-12)15(27)23-32(28,29)30-4-8-10(25)11(26)16(31-8)24-6-22-9-13(18)20-5-21-14(9)24/h1-3,5-6,8,10-11,16,25-26H,4H2,(H,23,27)(H2,18,20,21)/t8-,10-,11-,16-/m1/s1 YHZNZGNWBXMYLE-YZVYYRORSA-N 50411462 CHEMBL1162044 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 2900 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411462&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047682 163360486 CHEMBL1162044 ZINC28865821 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004516 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)[C@@H](O)[C@H]1O InChI=1S/C17H13F4N9O7S/c18-6-5(7(19)9(21)10(8(6)20)27-29-23)16(33)28-38(34,35)36-1-4-12(31)13(32)17(37-4)30-3-26-11-14(22)24-2-25-15(11)30/h2-4,12-13,17,31-32H,1H2,(H,28,33)(H2,22,24,25)/t4-,12-,13-,17-/m1/s1 WQGUAFUPZBTKRT-PJGOSXBVSA-N 50411463 CHEMBL1162052 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411463&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047687 163360487 CHEMBL1162052 ZINC28865855 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004517 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C18H19N7O6/c19-14-11-15(22-6-21-14)25(7-23-11)17-13(28)12(27)10(31-17)5-20-18(30)24-16(29)8-3-1-2-4-9(8)26/h1-4,6-7,10,12-13,17,26-28H,5H2,(H2,19,21,22)(H2,20,24,29,30)/t10-,12-,13-,17-/m1/s1 HNQSCVPQTCIJPO-CNEMSGBDSA-N 50411464 CHEMBL392739 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1250 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411464&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 23730939 163360488 CHEMBL392739 ZINC28866076 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004518 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)Cc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C18H20N6O7S/c19-16-13-17(21-8-20-16)24(9-22-13)18-15(27)14(26)11(31-18)7-30-32(28,29)23-12(25)6-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,26-27H,6-7H2,(H,23,25)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 XIHQRYUIMDVRRV-XKLVTHTNSA-N 50411465 CHEMBL1162051 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411465&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047729 163360489 CHEMBL1162051 ZINC28865852 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004519 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2F)[C@@H](O)[C@H]1O InChI=1S/C17H17FN6O7S/c18-9-4-2-1-3-8(9)16(27)23-32(28,29)30-5-10-12(25)13(26)17(31-10)24-7-22-11-14(19)20-6-21-15(11)24/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,23,27)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 SVAJIUVPKOPHIJ-CNEMSGBDSA-N 50411466 CHEMBL1162030 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 38 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411466&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44436269 163360490 CHEMBL1162030 ZINC28865764 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004520 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(Cl)c2O)[C@@H](O)[C@H]1O InChI=1S/C17H17ClN6O8S/c18-8-3-1-2-7(11(8)25)16(28)23-33(29,30)31-4-9-12(26)13(27)17(32-9)24-6-22-10-14(19)20-5-21-15(10)24/h1-3,5-6,9,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1 GIEHYBQLTFEGIZ-DMEFTLKTSA-N 50411467 CHEMBL1162032 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 61 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411467&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041932 163360491 CHEMBL1162032 ZINC28865772 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004521 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cc(Cl)ccc2O)[C@@H](O)[C@H]1O InChI=1S/C17H17ClN6O8S/c18-7-1-2-9(25)8(3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 GFTRYPBCUKWZDW-CNEMSGBDSA-N 50411468 CHEMBL1162034 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 20 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411468&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041934 163360492 CHEMBL1162034 ZINC28865782 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004522 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)N2CCOCC2)[C@@H](O)[C@H]1O InChI=1S/C15H21N7O8S/c16-12-9-13(18-6-17-12)22(7-19-9)14-11(24)10(23)8(30-14)5-29-31(26,27)20-15(25)21-1-3-28-4-2-21/h6-8,10-11,14,23-24H,1-5H2,(H,20,25)(H2,16,17,18)/t8-,10-,11-,14-/m1/s1 RARYHNGHWPGLSJ-IDTAVKCVSA-N 50411469 CHEMBL1162046 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411469&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047701 163360493 CHEMBL1162046 ZINC28865828 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004523 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1 DDOFAAYVEMVKLG-DMEFTLKTSA-N 50411470 CHEMBL1162041 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 137 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411470&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search HP8 9549060 163360494 CHEMBL1162041 ZINC28865812 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004524 Nc1ccccc1C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C17H19N7O7S/c18-9-4-2-1-3-8(9)16(27)23-32(28,29)30-5-10-12(25)13(26)17(31-10)24-7-22-11-14(19)20-6-21-15(11)24/h1-4,6-7,10,12-13,17,25-26H,5,18H2,(H,23,27)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 NCXSMTGXTNNIKQ-CNEMSGBDSA-N 50411471 CHEMBL437891 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 770 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411471&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 11628330 163360495 CHEMBL437891 ZINC28567172 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004525 CC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O7S/c1-5(19)17-26(22,23)24-2-6-8(20)9(21)12(25-6)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,20-21H,2H2,1H3,(H,17,19)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 SKYBLZMECJREBK-WOUKDFQISA-N 50411472 CHEMBL1162049 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411472&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 7RM 11960069 163360496 CHEMBL1162049 ZINC28865840 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004526 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Cl)cc2O)[C@@H](O)[C@H]1O InChI=1S/C17H17ClN6O8S/c18-7-1-2-8(9(25)3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 AVIWYLJMLPPXAR-CNEMSGBDSA-N 50411473 CHEMBL1162033 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 12 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411473&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25047710 163360497 CHEMBL1162033 ZINC28865775 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51004527 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(F)cc2O)[C@@H](O)[C@H]1O InChI=1S/C17H17FN6O8S/c18-7-1-2-8(9(25)3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1 VXKIOONZFRMEPK-CNEMSGBDSA-N 50411474 CHEMBL1162035 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 12 ChEMBL 10.1021/jm070905o 10.7270/Q298887N 17967002 Qiao, C; Gupte, A; Boshoff, HI; Wilson, DJ; Bennett, EM; Somu, RV; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411474&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 25041941 163360498 CHEMBL1162035 ZINC28865786 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009111 Nc1ncnc2n(cnc12)C1OC(CNS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-3-1-2-4-9(8)25/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20) CHPCUEVDLWQUFT-UHFFFAOYSA-N 50413186 CHEMBL609097 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.8 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413186&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56664090 163362210 CHEMBL609097 ZINC49016383 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009112 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NCc2ccccc2O)C(O)C1O InChI=1S/C17H20N6O7S/c18-15-12-16(20-7-19-15)23(8-21-12)17-14(26)13(25)11(30-17)6-29-31(27,28)22-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,22,24-26H,5-6H2,(H2,18,19,20) HCYJFNRTOTXSQG-UHFFFAOYSA-N 50413187 CHEMBL612058 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 410 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413187&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681074 163362211 CHEMBL612058 ZINC49031810 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009113 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C18H19N5O8S/c19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(31-18)5-30-32(28,29)6-11(25)9-3-1-2-4-10(9)24/h1-4,7-8,12,14-15,18,24,26-27H,5-6H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1 ISLGZADZWRVFMN-SCFUHWHPSA-N 50413188 CHEMBL458606 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3300 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413188&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44589274 163362212 CHEMBL458606 ZINC40861083 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009114 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)\C=C\c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C18H20N6O6S/c19-16-13-17(21-8-20-16)24(9-22-13)18-15(27)14(26)12(30-18)7-23-31(28,29)6-5-10-3-1-2-4-11(10)25/h1-6,8-9,12,14-15,18,23,25-27H,7H2,(H2,19,20,21)/b6-5+/t12-,14-,15-,18-/m1/s1 MMFLCDZKGANPJO-GKQKFFBDSA-N 50413189 CHEMBL457531::Salicyl-AVSN (7) Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 143000 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413189&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 16680887 163362213 CHEMBL457531 ZINC40849039 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009115 Nc1ncnc2n(cnc12)C1CC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C18H20N6O7S/c19-16-13-17(21-7-20-16)24(8-22-13)11-5-9(14(26)15(11)27)6-31-32(29,30)23-18(28)10-3-1-2-4-12(10)25/h1-4,7-9,11,14-15,25-27H,5-6H2,(H,23,28)(H2,19,20,21) OPYYAVUFYAAQGN-UHFFFAOYSA-N 50413190 CHEMBL609107 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 2.3 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413190&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56657094 163362214 CHEMBL609107 ZINC49017230 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009116 Nc1ncnc2n(cnc12)C1CC(O)C(COS(=O)(=O)NC(=O)c2ccccc2O)O1 InChI=1S/C17H18N6O7S/c18-15-14-16(20-7-19-15)23(8-21-14)13-5-11(25)12(30-13)6-29-31(27,28)22-17(26)9-3-1-2-4-10(9)24/h1-4,7-8,11-13,24-25H,5-6H2,(H,22,26)(H2,18,19,20) UPNOFARSRPSEFA-UHFFFAOYSA-N 50413191 CHEMBL609108 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.5 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413191&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674548 163362215 CHEMBL609108 ZINC49111047 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009117 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)CC1O InChI=1S/C17H18N6O7S/c18-14-13-15(20-7-19-14)23(8-21-13)17-12(25)5-9(30-17)6-29-31(27,28)22-16(26)10-3-1-2-4-11(10)24/h1-4,7-9,12,17,24-25H,5-6H2,(H,22,26)(H2,18,19,20) YBZCASUHULQPTN-UHFFFAOYSA-N 50413192 CHEMBL611786 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.2 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413192&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667500 163362216 CHEMBL611786 ZINC49021591 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009118 Nc1ncnc2n(cnc12)C1CC(COS(=O)(=O)NC(=O)c2ccccc2O)C=C1 InChI=1S/C18H18N6O5S/c19-16-15-17(21-9-20-16)24(10-22-15)12-6-5-11(7-12)8-29-30(27,28)23-18(26)13-3-1-2-4-14(13)25/h1-6,9-12,25H,7-8H2,(H,23,26)(H2,19,20,21) OGPMPBKHTVYOOM-UHFFFAOYSA-N 50413193 CHEMBL611787 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 830 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413193&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56660747 163362217 CHEMBL611787 ZINC49089977 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009119 Nc1ncnc2n(cnc12)C1CCC(COS(=O)(=O)NC(=O)c2ccccc2O)C1 InChI=1S/C18H20N6O5S/c19-16-15-17(21-9-20-16)24(10-22-15)12-6-5-11(7-12)8-29-30(27,28)23-18(26)13-3-1-2-4-14(13)25/h1-4,9-12,25H,5-8H2,(H,23,26)(H2,19,20,21) NOFLWHBOYKZDHC-UHFFFAOYSA-N 50413194 CHEMBL611788 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 61 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50413194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50413194&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667502 163362218 CHEMBL611788 ZINC49021747 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51009120 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20) SABYITLYKSVAAD-UHFFFAOYSA-N 50412379 CHEMBL608844 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 5.1 ChEMBL 10.1021/jm800668u 10.7270/Q2ZK5HXC 18959400 Labello, NP; Bennett, EM; Ferguson, DM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412379&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search KT0 16755394 163361403 CHEMBL608844 ZINC49019974 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003646 Nc1ncnc2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)21-7-23(11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 RNEFMYBUWOXDBR-CNEMSGBDSA-N 50411234 CHEMBL220160 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 6.6 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411234&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418961 163360258 CHEMBL220160 ZINC40576844 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003647 Nc1ncnc2ncn(C3CC(O)C(COS(=O)(=O)NC(=O)c4ccccc4O)O3)c12 InChI=1S/C17H18N6O7S/c18-15-14-16(20-7-19-15)21-8-23(14)13-5-11(25)12(30-13)6-29-31(27,28)22-17(26)9-3-1-2-4-10(9)24/h1-4,7-8,11-13,24-25H,5-6H2,(H,22,26)(H2,18,19,20) YLXSPHJCJBXKNZ-UHFFFAOYSA-N 50411235 CHEMBL612022 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.5 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411235&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674460 163360259 CHEMBL612022 ZINC49021902 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003648 Nc1ncnc2ncn([C@@H]3O[C@H](CNS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)21-7-24(11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-3-1-2-4-9(8)25/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1 QYOFOZBJAPIWHT-CNEMSGBDSA-N 50411236 CHEMBL218683 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.7 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411236&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418966 163360260 CHEMBL218683 ZINC40576330 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003649 Nc1ncnc2ncn(COCCOS(=O)(=O)NC(=O)c3ccccc3O)c12 InChI=1S/C15H16N6O6S/c16-13-12-14(18-7-17-13)19-8-21(12)9-26-5-6-27-28(24,25)20-15(23)10-3-1-2-4-11(10)22/h1-4,7-8,22H,5-6,9H2,(H,20,23)(H2,16,17,18) YUPFAOYYYDYBTK-UHFFFAOYSA-N 50411237 CHEMBL220161 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 16700 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411237&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418962 163360261 CHEMBL220161 ZINC40576846 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003650 Nc1ncnc2ncn([C@H]3CC[C@@H](COS(=O)(=O)NC(=O)c4ccccc4O)C3)c12 InChI=1S/C18H20N6O5S/c19-16-15-17(21-9-20-16)22-10-24(15)12-6-5-11(7-12)8-29-30(27,28)23-18(26)13-3-1-2-4-14(13)25/h1-4,9-12,25H,5-8H2,(H,23,26)(H2,19,20,21)/t11-,12+/m1/s1 QNELDFKVSYNMOB-NEPJUHHUSA-N 50411238 CHEMBL385125 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 61 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411238&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418955 163360262 CHEMBL385125 ZINC40764368 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003651 Nc1ncnc2ncn([C@@H]3C[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 InChI=1S/C18H20N6O7S/c19-16-13-17(21-7-20-16)22-8-24(13)11-5-9(14(26)15(11)27)6-31-32(29,30)23-18(28)10-3-1-2-4-12(10)25/h1-4,7-9,11,14-15,25-27H,5-6H2,(H,23,28)(H2,19,20,21)/t9-,11-,14-,15+/m1/s1 BTIHYYWXCLTVAO-VGKMCQHDSA-N 50411239 CHEMBL218023 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 2.3 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411239&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418967 163360263 CHEMBL218023 ZINC28604427 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003652 Nc1ncnc2ncn([C@@H]3C[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)C=C3)c12 InChI=1S/C18H18N6O5S/c19-16-15-17(21-9-20-16)22-10-24(15)12-6-5-11(7-12)8-29-30(27,28)23-18(26)13-3-1-2-4-14(13)25/h1-6,9-12,25H,7-8H2,(H,23,26)(H2,19,20,21)/t11-,12+/m1/s1 SRGATSLULOGLFW-NEPJUHHUSA-N 50411240 CHEMBL384655 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 830 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411240&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418954 163360264 CHEMBL384655 ZINC40764364 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51003653 Nc1ncnc2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)C[C@H]3O)c12 InChI=1S/C17H18N6O7S/c18-14-13-15(20-7-19-14)21-8-23(13)17-12(25)5-9(30-17)6-29-31(27,28)22-16(26)10-3-1-2-4-11(10)24/h1-4,7-9,12,17,24-25H,5-6H2,(H,22,26)(H2,18,19,20)/t9-,12+,17+/m0/s1 NERGYNIRPZTXFM-DKRRZFASSA-N 50411241 CHEMBL387162 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.2 ChEMBL 10.1021/jm061068d 10.7270/Q20Z74H9 17181146 Somu, RV; Wilson, DJ; Bennett, EM; Boshoff, HI; Celia, L; Beck, BJ; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50411241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50411241&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 44418970 163360265 CHEMBL387162 ZINC28604534 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007151 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccc(cc1)-c1ccccc1 InChI=1S/C29H26N6O8S/c30-25-22-27(33-26(32-25)18-12-10-17(11-13-18)16-6-2-1-3-7-16)35(15-31-22)29-24(38)23(37)21(43-29)14-42-44(40,41)34-28(39)19-8-4-5-9-20(19)36/h1-13,15,21,23-24,29,37-38H,14H2,(H4,30,32,33,34,36,39)/p-1/t21-,23-,24-,29-/m1/s1 DRXXFTUSHQWMOO-LQLFOZJWSA-M 50412360 CHEMBL456074 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.99 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412360&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900424 163361384 CHEMBL456074 ZINC44359355 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007152 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1cccc(c1)-c1ccccc1 InChI=1S/C29H26N6O8S/c30-25-22-27(33-26(32-25)18-10-6-9-17(13-18)16-7-2-1-3-8-16)35(15-31-22)29-24(38)23(37)21(43-29)14-42-44(40,41)34-28(39)19-11-4-5-12-20(19)36/h1-13,15,21,23-24,29,37-38H,14H2,(H4,30,32,33,34,36,39)/p-1/t21-,23-,24-,29-/m1/s1 UUMZDHZILVETOE-LQLFOZJWSA-M 50412361 CHEMBL1627105 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.4 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412361&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900425 163361385 CHEMBL1627105 ZINC44307770 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007153 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccccc1-c1ccccc1 InChI=1S/C29H26N6O8S/c30-25-22-27(33-26(32-25)18-11-5-4-10-17(18)16-8-2-1-3-9-16)35(15-31-22)29-24(38)23(37)21(43-29)14-42-44(40,41)34-28(39)19-12-6-7-13-20(19)36/h1-13,15,21,23-24,29,37-38H,14H2,(H4,30,32,33,34,36,39)/p-1/t21-,23-,24-,29-/m1/s1 GWDOKKVMOPQYNK-LQLFOZJWSA-M 50412362 CHEMBL447500 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 47 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412362&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900426 163361386 CHEMBL447500 ZINC44281298 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007154 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccccc1 InChI=1S/C23H22N6O8S/c24-19-16-21(27-20(26-19)12-6-2-1-3-7-12)29(11-25-16)23-18(32)17(31)15(37-23)10-36-38(34,35)28-22(33)13-8-4-5-9-14(13)30/h1-9,11,15,17-18,23,31-32H,10H2,(H4,24,26,27,28,30,33)/p-1/t15-,17-,18-,23-/m1/s1 SFAOAHCYBOSXAW-CXIOKZBNSA-M 50244934 5'-O-[N-(2-Hydroxybenzoyl)sulfamoyl]-2-phenyladenosine TriethylammoniumSalt Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.27 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50244934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50244934&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91935595 104100825 ZINC44351971 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007155 Nc1nc(Nc2ccccc2)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C23H23N7O8S/c24-19-16-20(28-23(27-19)26-12-6-2-1-3-7-12)30(11-25-16)22-18(33)17(32)15(38-22)10-37-39(35,36)29-21(34)13-8-4-5-9-14(13)31/h1-9,11,15,17-18,22,31-33H,10H2,(H,29,34)(H3,24,26,27,28) KTWHNZSXOQKUKB-UHFFFAOYSA-N 50412363 CHEMBL611771 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.94 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412363&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56660613 163361387 CHEMBL611771 ZINC49774765 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007156 Nc1nc(I)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C17H17IN6O8S/c18-17-21-13(19)10-14(22-17)24(6-20-10)16-12(27)11(26)9(32-16)5-31-33(29,30)23-15(28)7-3-1-2-4-8(7)25/h1-4,6,9,11-12,16,25-27H,5H2,(H,23,28)(H2,19,21,22) AYNJLLNTEXKHBB-UHFFFAOYSA-N 50412364 CHEMBL611789 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.03 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412364&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56671080 163361388 CHEMBL611789 ZINC49785604 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007157 Nc1nc2c(N)ncnc2n1C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C17H19N7O8S/c18-13-10-14(21-6-20-13)24(17(19)22-10)16-12(27)11(26)9(32-16)5-31-33(29,30)23-15(28)7-3-1-2-4-8(7)25/h1-4,6,9,11-12,16,25-27H,5H2,(H2,19,22)(H,23,28)(H2,18,20,21) MVNGNTPHTCJUFE-UHFFFAOYSA-N 50412365 CHEMBL608834 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 183000 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412365&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681145 163361389 CHEMBL608834 ZINC49019655 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007158 Nc1ncnc2n(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c(N=[N+]=[N-])nc12 InChI=1S/C17H17N9O8S/c18-13-10-14(21-6-20-13)26(17(22-10)23-25-19)16-12(29)11(28)9(34-16)5-33-35(31,32)24-15(30)7-3-1-2-4-8(7)27/h1-4,6,9,11-12,16,27-29H,5H2,(H,24,30)(H2,18,20,21) NHBVAQNNKSSDJZ-UHFFFAOYSA-N 50412366 CHEMBL609102 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 42500 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412366&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681050 163361390 CHEMBL609102 ZINC49016792 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007159 Nc1ncnc2n(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c(Br)nc12 InChI=1S/C17H17BrN6O8S/c18-17-22-10-13(19)20-6-21-14(10)24(17)16-12(27)11(26)9(32-16)5-31-33(29,30)23-15(28)7-3-1-2-4-8(7)25/h1-4,6,9,11-12,16,25-27H,5H2,(H,23,28)(H2,19,20,21) FOYYRNQEXAHZFL-UHFFFAOYSA-N 50412367 CHEMBL609111 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 2050 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412367&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56664338 163361391 CHEMBL609111 ZINC49771887 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007160 O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 InChI=1S/C24H24N6O8S/c31-16-9-5-4-8-15(16)23(34)29-39(35,36)37-11-17-19(32)20(33)24(38-17)30-13-28-18-21(26-12-27-22(18)30)25-10-14-6-2-1-3-7-14/h1-9,12-13,17,19-20,24,32-33H,10-11H2,(H3,25,26,27,29,31,34)/p-1/t17-,19-,20-,24-/m1/s1 ZWHRAOGNDXDPTC-AGFSROSKSA-M 50412368 CHEMBL519775 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 8260 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412368&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900427 163361392 CHEMBL519775 ZINC42888609 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007161 O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C22H26N6O8S/c29-14-8-4-3-7-13(14)21(32)27-37(33,34)35-9-15-17(30)18(31)22(36-15)28-11-25-16-19(23-10-24-20(16)28)26-12-5-1-2-6-12/h3-4,7-8,10-12,15,17-18,22,30-31H,1-2,5-6,9H2,(H3,23,24,26,27,29,32)/p-1/t15-,17-,18-,22-/m1/s1 ZAGPLQUPVANFGJ-UVLLPENVSA-M 50412369 CHEMBL518959 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 9412 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412369&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900428 163361393 CHEMBL518959 ZINC42887430 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007162 O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 InChI=1S/C21H24N6O8S/c28-13-7-2-1-6-12(13)20(31)26-36(32,33)34-8-14-16(29)17(30)21(35-14)27-10-24-15-18(22-9-23-19(15)27)25-11-4-3-5-11/h1-2,6-7,9-11,14,16-17,21,29-30H,3-5,8H2,(H3,22,23,25,26,28,31)/p-1/t14-,16-,17-,21-/m1/s1 FVADMFTXPDCYRB-VGKBRBPRSA-M 50412370 CHEMBL459679 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 124 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412370&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900429 163361394 CHEMBL459679 ZINC44386429 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007163 OC1C(COS(=O)(=O)NC(=O)c2ccccc2O)OC(C1O)n1cnc2c(NC3CC3)ncnc12 InChI=1S/C20H22N6O8S/c27-12-4-2-1-3-11(12)19(30)25-35(31,32)33-7-13-15(28)16(29)20(34-13)26-9-23-14-17(24-10-5-6-10)21-8-22-18(14)26/h1-4,8-10,13,15-16,20,27-29H,5-7H2,(H,25,30)(H,21,22,24) MKUIZSJYRAYXLR-UHFFFAOYSA-N 50412371 CHEMBL612053 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.85 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412371&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56664234 163361395 CHEMBL612053 ZINC49053024 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007164 CC(C)CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C21H26N6O8S/c1-11(2)7-22-18-15-19(24-9-23-18)27(10-25-15)21-17(30)16(29)14(35-21)8-34-36(32,33)26-20(31)12-5-3-4-6-13(12)28/h3-6,9-11,14,16-17,21,29-30H,7-8H2,1-2H3,(H3,22,23,24,26,28,31)/p-1/t14-,16-,17-,21-/m1/s1 CIRUSYHNUVVFKN-VGKBRBPRSA-M 50412372 CHEMBL459678 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1140 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412372&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900430 163361396 CHEMBL459678 ZINC44386367 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007165 CC(C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C20H24N6O8S/c1-10(2)24-17-14-18(22-8-21-17)26(9-23-14)20-16(29)15(28)13(34-20)7-33-35(31,32)25-19(30)11-5-3-4-6-12(11)27/h3-6,8-10,13,15-16,20,28-29H,7H2,1-2H3,(H3,21,22,24,25,27,30)/p-1/t13-,15-,16-,20-/m1/s1 OSLLPQTXVDWIIB-KHTYJDQRSA-M 50412373 CHEMBL461568 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 7 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412373&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900431 163361397 CHEMBL461568 ZINC40867209 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007168 CN(C)c1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C19H22N6O8S/c1-24(2)16-13-17(21-8-20-16)25(9-22-13)19-15(28)14(27)12(33-19)7-32-34(30,31)23-18(29)10-5-3-4-6-11(10)26/h3-6,8-9,12,14-15,19,26-28H,7H2,1-2H3,(H,23,29) FEOJAKOAOMUIDG-UHFFFAOYSA-N 50412376 CHEMBL611769 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 380 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412376&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667498 163361400 CHEMBL611769 ZINC49021374 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007169 Nc1cccc2n(ccc12)C1CC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C21H23N3O7S/c22-15-5-3-6-16-13(15)8-9-24(16)17-10-12(19(26)20(17)27)11-31-32(29,30)23-21(28)14-4-1-2-7-18(14)25/h1-9,12,17,19-20,25-27H,10-11,22H2,(H,23,28) DSNWPOZBVHPEON-UHFFFAOYSA-N 50412377 CHEMBL609106 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 20.1 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412377&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681052 163361401 CHEMBL609106 ZINC49016804 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007170 Nc1ncnc2n(ccc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C18H19N5O8S/c19-15-10-5-6-23(16(10)21-8-20-15)18-14(26)13(25)12(31-18)7-30-32(28,29)22-17(27)9-3-1-2-4-11(9)24/h1-6,8,12-14,18,24-26H,7H2,(H,22,27)(H2,19,20,21) SOQZLCFVRXTYMA-UHFFFAOYSA-N 50412378 CHEMBL608845 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 24.3 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412378&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56671178 163361402 CHEMBL608845 ZINC49089943 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007171 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20) SABYITLYKSVAAD-UHFFFAOYSA-N 50412379 CHEMBL608844 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 6.6 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412379&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search KT0 16755394 163361403 CHEMBL608844 ZINC49019974 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007172 CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C19H22N6O8S/c1-2-20-16-13-17(22-8-21-16)25(9-23-13)19-15(28)14(27)12(33-19)7-32-34(30,31)24-18(29)10-5-3-4-6-11(10)26/h3-6,8-9,12,14-15,19,27-28H,2,7H2,1H3,(H3,20,21,22,24,26,29)/p-1/t12-,14-,15-,19-/m1/s1 PEPSFZWLSZOYCF-QEPJRFBGSA-M 50412380 CHEMBL516501 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 4.4 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412380&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900433 163361404 CHEMBL516501 ZINC40393185 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007173 OC1C(COS(=O)(=O)NC(=O)c2ccccc2O)OC(C1O)n1cnc2c1nc[nH]c2=O InChI=1S/C17H17N5O9S/c23-9-4-2-1-3-8(9)15(26)21-32(28,29)30-5-10-12(24)13(25)17(31-10)22-7-20-11-14(22)18-6-19-16(11)27/h1-4,6-7,10,12-13,17,23-25H,5H2,(H,21,26)(H,18,19,27) BUAZXZGGMUEXRD-UHFFFAOYSA-N 50412381 CHEMBL609098 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 800 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412381&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56677750 163361405 CHEMBL609098 ZINC49016773 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007174 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)C#Cc1ccccc1 InChI=1S/C25H22N6O8S/c26-22-19-23(29-18(28-22)11-10-14-6-2-1-3-7-14)31(13-27-19)25-21(34)20(33)17(39-25)12-38-40(36,37)30-24(35)15-8-4-5-9-16(15)32/h1-9,13,17,20-21,25,32-34H,12H2,(H,30,35)(H2,26,28,29) MHPICZYVLKMYFB-UHFFFAOYSA-N 50412382 CHEMBL611777 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.4 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412382&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674762 163361406 CHEMBL611777 ZINC49792490 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007166 CCCNc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O InChI=1S/C20H24N6O8S/c1-2-7-21-17-14-18(23-9-22-17)26(10-24-14)20-16(29)15(28)13(34-20)8-33-35(31,32)25-19(30)11-5-3-4-6-12(11)27/h3-6,9-10,13,15-16,20,27-29H,2,7-8H2,1H3,(H,25,30)(H,21,22,23) OHGYJSOOMXPMMT-UHFFFAOYSA-N 50412374 CHEMBL612056 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.5 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412374&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56660962 163361398 CHEMBL612056 ZINC49090016 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51007167 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C18H20N6O8S/c1-19-15-12-16(21-7-20-15)24(8-22-12)18-14(27)13(26)11(32-18)6-31-33(29,30)23-17(28)9-4-2-3-5-10(9)25/h2-5,7-8,11,13-14,18,26-27H,6H2,1H3,(H3,19,20,21,23,25,28)/p-1/t11-,13-,14-,18-/m1/s1 HIHXPJHBSNGFNU-XWXWGSFUSA-M 50412375 CHEMBL518346 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.6 ChEMBL 10.1021/jm800567v 10.7270/Q2BZ66X7 18690677 Neres, J; Labello, NP; Somu, RV; Boshoff, HI; Wilson, DJ; Vannada, J; Chen, L; Barry, CE; Bennett, EM; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412375&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 91900432 163361399 CHEMBL518346 ZINC40391589 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008324 Nc1ccccc1-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C25H24N10O8S/c26-14-7-3-1-5-12(14)15-9-35(33-31-15)25-29-21(27)18-22(30-25)34(11-28-18)24-20(38)19(37)17(43-24)10-42-44(40,41)32-23(39)13-6-2-4-8-16(13)36/h1-9,11,17,19-20,24,36-38H,10,26H2,(H,32,39)(H2,27,29,30) BILNDUOMNMUMMS-UHFFFAOYSA-N 50412818 CHEMBL609101 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.77 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412818&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56671400 163361842 CHEMBL609101 ZINC49774848 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008325 Cc1ccc(cc1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C26H25N9O8S/c1-13-6-8-14(9-7-13)16-10-35(33-31-16)26-29-22(27)19-23(30-26)34(12-28-19)25-21(38)20(37)18(43-25)11-42-44(40,41)32-24(39)15-4-2-3-5-17(15)36/h2-10,12,18,20-21,25,36-38H,11H2,1H3,(H,32,39)(H2,27,29,30) LDSHXQALDCKSQV-UHFFFAOYSA-N 50412819 CHEMBL611785 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.48 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412819&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56671070 163361843 CHEMBL611785 ZINC49792700 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008326 Cc1cccc(c1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C26H25N9O8S/c1-13-5-4-6-14(9-13)16-10-35(33-31-16)26-29-22(27)19-23(30-26)34(12-28-19)25-21(38)20(37)18(43-25)11-42-44(40,41)32-24(39)15-7-2-3-8-17(15)36/h2-10,12,18,20-21,25,36-38H,11H2,1H3,(H,32,39)(H2,27,29,30) UFDFDPBRRIOTCL-UHFFFAOYSA-N 50412820 CHEMBL608842 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.95 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412820&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56657211 163361844 CHEMBL608842 ZINC49785299 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008327 Cc1ccccc1-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C26H25N9O8S/c1-13-6-2-3-7-14(13)16-10-35(33-31-16)26-29-22(27)19-23(30-26)34(12-28-19)25-21(38)20(37)18(43-25)11-42-44(40,41)32-24(39)15-8-4-5-9-17(15)36/h2-10,12,18,20-21,25,36-38H,11H2,1H3,(H,32,39)(H2,27,29,30) RJIXXXSBMXYPMA-UHFFFAOYSA-N 50412821 CHEMBL608839 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.59 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412821&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667581 163361845 CHEMBL608839 ZINC49771543 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008328 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccccc1 InChI=1S/C25H23N9O8S/c26-21-18-22(29-25(28-21)34-10-15(30-32-34)13-6-2-1-3-7-13)33(12-27-18)24-20(37)19(36)17(42-24)11-41-43(39,40)31-23(38)14-8-4-5-9-16(14)35/h1-10,12,17,19-20,24,35-37H,11H2,(H,31,38)(H2,26,28,29) XMAYIBPCJGAILC-UHFFFAOYSA-N 50412822 CHEMBL611776 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 3.2 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412822&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56671292 163361846 CHEMBL611776 ZINC49792436 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008329 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1=CCCCC1 InChI=1S/C25H27N9O8S/c26-21-18-22(29-25(28-21)34-10-15(30-32-34)13-6-2-1-3-7-13)33(12-27-18)24-20(37)19(36)17(42-24)11-41-43(39,40)31-23(38)14-8-4-5-9-16(14)35/h4-6,8-10,12,17,19-20,24,35-37H,1-3,7,11H2,(H,31,38)(H2,26,28,29) USGZLSDYCBRODD-UHFFFAOYSA-N 50412823 CHEMBL612057 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.5 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412823&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56671061 163361847 CHEMBL612057 ZINC49785896 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008330 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCCC1 InChI=1S/C25H29N9O8S/c26-21-18-22(29-25(28-21)34-10-15(30-32-34)13-6-2-1-3-7-13)33(12-27-18)24-20(37)19(36)17(42-24)11-41-43(39,40)31-23(38)14-8-4-5-9-16(14)35/h4-5,8-10,12-13,17,19-20,24,35-37H,1-3,6-7,11H2,(H,31,38)(H2,26,28,29) YPQFGJKEAGRQTN-UHFFFAOYSA-N 50412824 CHEMBL611766 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.32 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412824&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56667496 163361848 CHEMBL611766 ZINC49774697 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008331 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCC1 InChI=1S/C24H27N9O8S/c25-20-17-21(28-24(27-20)33-9-14(29-31-33)12-5-1-2-6-12)32(11-26-17)23-19(36)18(35)16(41-23)10-40-42(38,39)30-22(37)13-7-3-4-8-15(13)34/h3-4,7-9,11-12,16,18-19,23,34-36H,1-2,5-6,10H2,(H,30,37)(H2,25,27,28) RRBSXVBEWIMXIL-UHFFFAOYSA-N 50412825 CHEMBL609105 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.54 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412825&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56678060 163361849 CHEMBL609105 ZINC49777398 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008332 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CC1 InChI=1S/C22H23N9O8S/c23-18-15-19(26-22(25-18)31-7-12(27-29-31)10-5-6-10)30(9-24-15)21-17(34)16(33)14(39-21)8-38-40(36,37)28-20(35)11-3-1-2-4-13(11)32/h1-4,7,9-10,14,16-17,21,32-34H,5-6,8H2,(H,28,35)(H2,23,25,26) KOQYVQNBKJVDPM-UHFFFAOYSA-N 50412826 CHEMBL612048 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.46 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412826&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681212 163361850 CHEMBL612048 ZINC49785188 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008333 CC(C)(C)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C23H27N9O8S/c1-23(2,3)14-8-32(30-28-14)22-26-18(24)15-19(27-22)31(10-25-15)21-17(35)16(34)13(40-21)9-39-41(37,38)29-20(36)11-6-4-5-7-12(11)33/h4-8,10,13,16-17,21,33-35H,9H2,1-3H3,(H,29,36)(H2,24,26,27) PANKGFNUGHGKED-UHFFFAOYSA-N 50412827 CHEMBL611767 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.96 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412827&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681235 163361851 CHEMBL611767 ZINC49774705 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008334 CC(C)Cc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C23H27N9O8S/c1-11(2)7-12-8-32(30-28-12)23-26-19(24)16-20(27-23)31(10-25-16)22-18(35)17(34)15(40-22)9-39-41(37,38)29-21(36)13-5-3-4-6-14(13)33/h3-6,8,10-11,15,17-18,22,33-35H,7,9H2,1-2H3,(H,29,36)(H2,24,26,27) DAGLKXMCVYLQKP-UHFFFAOYSA-N 50412828 CHEMBL608843 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.4 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412828&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56678070 163361852 CHEMBL608843 ZINC49785084 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008335 CCCCCCCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C31H43N9O8S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-40(38-36-20)31-34-27(32)24-28(35-31)39(19-33-24)30-26(43)25(42)23(48-30)18-47-49(45,46)37-29(44)21-15-12-13-16-22(21)41/h12-13,15-17,19,23,25-26,30,41-43H,2-11,14,18H2,1H3,(H,37,44)(H2,32,34,35) IZIYHQKZTVZLLO-UHFFFAOYSA-N 50412829 CHEMBL612044 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 2.7 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412829&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search IXN 56681157 163361853 CHEMBL612044 ZINC49777080 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008336 CCCCCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C29H39N9O8S/c1-2-3-4-5-6-7-8-9-12-18-15-38(36-34-18)29-32-25(30)22-26(33-29)37(17-31-22)28-24(41)23(40)21(46-28)16-45-47(43,44)35-27(42)19-13-10-11-14-20(19)39/h10-11,13-15,17,21,23-24,28,39-41H,2-9,12,16H2,1H3,(H,35,42)(H2,30,32,33) QRLJNXPKTXILSX-UHFFFAOYSA-N 50412830 CHEMBL612042 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 5.1 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412830&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56657116 163361854 CHEMBL612042 ZINC49775183 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008337 CCCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C27H35N9O8S/c1-2-3-4-5-6-7-10-16-13-36(34-32-16)27-30-23(28)20-24(31-27)35(15-29-20)26-22(39)21(38)19(44-26)14-43-45(41,42)33-25(40)17-11-8-9-12-18(17)37/h8-9,11-13,15,19,21-22,26,37-39H,2-7,10,14H2,1H3,(H,33,40)(H2,28,30,31) JDQLBRJZXYZFEG-UHFFFAOYSA-N 50412831 CHEMBL612037 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 1.3 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412831&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56678198 163361855 CHEMBL612037 ZINC49775101 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008338 CCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C26H33N9O8S/c1-2-3-4-5-6-9-15-12-35(33-31-15)26-29-22(27)19-23(30-26)34(14-28-19)25-21(38)20(37)18(43-25)13-42-44(40,41)32-24(39)16-10-7-8-11-17(16)36/h7-8,10-12,14,18,20-21,25,36-38H,2-6,9,13H2,1H3,(H,32,39)(H2,27,29,30) DVZYPSZKAWOFNC-UHFFFAOYSA-N 50412832 CHEMBL612049 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.41 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412832&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56681176 163361856 CHEMBL612049 ZINC49785888 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51008339 CCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1 InChI=1S/C25H31N9O8S/c1-2-3-4-5-8-14-11-34(32-30-14)25-28-21(26)18-22(29-25)33(13-27-18)24-20(37)19(36)17(42-24)12-41-43(39,40)31-23(38)15-9-6-7-10-16(15)35/h6-7,9-11,13,17,19-20,24,35-37H,2-5,8,12H2,1H3,(H,31,38)(H2,26,28,29) XLKUGBYDOUGKMB-UHFFFAOYSA-N 50412833 CHEMBL611772 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 0.29 ChEMBL 10.1021/jm8008037 10.7270/Q2HH6M96 19053762 Gupte, A; Boshoff, HI; Wilson, DJ; Neres, J; Labello, NP; Somu, RV; Xing, C; Barry, CE; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412833&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 56674623 163361857 CHEMBL611772 ZINC49774773 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51036319 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2c[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C19H19N7O6S/c20-17-13-18(23-7-22-17)26(8-24-13)19-16(29)15(28)11(32-19)5-25-33(30,31)12-6-21-10-4-2-1-3-9(10)14(12)27/h1-4,6-8,11,15-16,19,25,28-29H,5H2,(H,21,27)(H2,20,22,23)/t11-,15-,16-,19-/m1/s1 PRFXKDATEQMALE-LUTMRVPUSA-N 50316149 CHEMBL4168282 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 120 ChEMBL 10.1021/acsmedchemlett.8b00090 10.7270/Q2RR21SH 29670706 Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316149&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 71819192 104150510 ZINC49069328 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51036320 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2noc3ccccc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C18H17N7O7S/c19-15-11-16(21-6-20-15)25(7-22-11)18-14(28)13(27)10(31-18)5-23-33(29,30)17-12(26)8-3-1-2-4-9(8)32-24-17/h1-4,6-7,10,13-14,18,23,27-28H,5H2,(H2,19,20,21)/t10-,13-,14-,18-/m1/s1 RMWBJUAWZFLSAR-OXQGGJHDSA-N 50316150 CHEMBL4160378 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis >50000 ChEMBL 10.1021/acsmedchemlett.8b00090 10.7270/Q2RR21SH 29670706 Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316150&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 71819193 104150511 ZINC49071962 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51036321 CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)c(F)cc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C18H16F2N8O6S.C6H15N/c19-7-1-6-9(2-8(7)20)26-27-17(12(6)29)35(32,33)25-3-10-13(30)14(31)18(34-10)28-5-24-11-15(21)22-4-23-16(11)28;1-4-7(5-2)6-3/h1-2,4-5,10,13-14,18,25,30-31H,3H2,(H,26,29)(H2,21,22,23);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1 OIISQYLLPNSIKC-GCHWKPKDSA-N 50316151 CHEMBL4299747 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 14 ChEMBL 10.1021/acsmedchemlett.8b00090 10.7270/Q2RR21SH 29670706 Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316151&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 145946436 104150512 ZINC49071538 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51036322 CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C18H18N8O6S.C6H15N/c19-15-11-16(21-6-20-15)26(7-22-11)18-14(29)13(28)10(32-18)5-23-33(30,31)17-12(27)8-3-1-2-4-9(8)24-25-17;1-4-7(5-2)6-3/h1-4,6-7,10,13-14,18,23,28-29H,5H2,(H,24,27)(H2,19,20,21);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1 ROGKYOIYPKHIAW-GCHWKPKDSA-N 50316152 CHEMBL4299749 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 14 ChEMBL 10.1021/acsmedchemlett.8b00090 10.7270/Q2RR21SH 29670706 Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316152&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 145946440 104150513 ZINC49089377 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51036323 CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)ccc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-8-9(3-7)25-26-17(12(8)28)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1 WPGJYYARFSGHCF-GCHWKPKDSA-N 50316153 CHEMBL4299745 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 12 ChEMBL 10.1021/acsmedchemlett.8b00090 10.7270/Q2RR21SH 29670706 Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316153&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 145946433 104150514 ZINC49087624 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51036324 CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccc(F)cc3c2=O)[C@@H](O)[C@H]1O InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-9-8(3-7)12(28)17(26-25-9)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1 XMSMIWJIGRMELR-GCHWKPKDSA-N 50316154 CHEMBL4299748 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis 21 ChEMBL 10.1021/acsmedchemlett.8b00090 10.7270/Q2RR21SH 29670706 Dawadi, S; Boshoff, HIM; Park, SW; Schnappinger, D; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316154&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 145946438 104150515 ZINC49087620 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787 51540026 Nc1nc(Nc2ccc(cc2)C(=O)c2ccc(NC(=O)CCC#C)cc2)nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O InChI=1S/C35H32N8O10S/c1-2-3-8-26(45)38-21-13-9-19(10-14-21)28(46)20-11-15-22(16-12-20)39-35-40-31(36)27-32(41-35)43(18-37-27)34-30(48)29(47)25(53-34)17-52-54(50,51)42-33(49)23-6-4-5-7-24(23)44/h1,4-7,9-16,18,25,29-30,34,44,47-48H,3,8,17H2,(H,38,45)(H,42,49)(H3,36,39,40,41)/t25-,29-,30-,34-/m1/s1 GLPGPEDISAEPIQ-DBBYQSBISA-N 50619333 CHEMBL5430701 Salicyl-AMP ligase / salicyl-S-ArCP synthetase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 0.940000 ChEMBL 10.1039/d3md00201b 10.7270/Q2W66R5C 37859726 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50619333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004230&target=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50619333&enzyme=Salicyl-AMP+ligase+%2F+salicyl-S-ArCP+synthetase&column=ki&startPg=0&Increment=50&submit=Search 1 MPPKAADGRRPSPDGGLGGFVPFPADRAASYRAAGYWSGRTLDTVLSDAARRWPDRLAVADAGDRPGHGGLSYAELDQRADRAAAALHGLGITPGDRVLLQLPNGCQFAVALFALLRAGAIPVMCLPGHRAAELGHFAAVSAATGLVVADVASGFDYRPMARELVADHPTLRHVIVDGDPGPFVSWAQLCAQAGTGSPAPPADPGSPALLLVSGGTTGMPKLIPRTHDDYVFNATASAALCRLSADDVYLVVLAAGHNFPLACPGLLGAMTVGATAVFAPDPSPEAAFAAIERHGVTVTALVPALAKLWAQSCEWEPVTPKSLRLLQVGGSKLEPEDARRVRTALTPGLQQVFGMAEGLLNFTRIGDPPEVVEHTQGRPLCPADELRIVNADGEPVGPGEEGELLVRGPYTLNGYFAAERDNERCFDPDGFYRSGDLVRRRDDGNLVVTGRVKDVICRAGETIAASDLEEQLLSHPAIFSAAAVGLPDQYLGEKICAAVVFAGAPITLAELNGYLDRRGVAAHTRPDQLVAMPALPTTPIGKIDKRAIVRQLGIATGPVTTQRCH Salicyl-AMP ligase / salicyl-S-ArCP synthetase MBTA_MYCTU P71716 F2GI64 I6Y957 Q7D787