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 50629969 N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 FTSDEWPMACCNGN-YTMOPEAISA-N 50339905 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE::5'-O-[N-(L-cysteinyl)sulfamoyl]adenosine::CHEMBL1163074::CysSA L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 50 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339905&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 5CA 447377 131342841 CHEMBL1163074 ZINC24951193 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629970 N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 HQXFJGONGJPTLZ-YTMOPEAISA-N 50339906 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl(S)-2-amino-3-hydroxypropanoylsulfamate::5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE::CHEMBL1163070::SerSA L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 5000000 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339906&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search SSA 445736 131342842 CHEMBL1163070 ZINC13542770 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629971 N[C@@H](CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1 KMRBRMHHDAUXAY-UFIIOMENSA-N 50339907 ((S)-2-amino-3-carboxypropanoyl)(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxysulfonyl)amide::(S)-3-amino-4-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxysulfonylamino)-4-oxobutanoic acid::5'-O-(L-alpha-aspartylsulfamoyl)adenosine::AspSA::CHEMBL1163057 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 1200000 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339907&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search DSZ 11190411 131342843 CHEMBL1163057 ZINC14967079 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629972 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1 InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/p-1/t10-,15+/m1/s1 RWQKHEORZBHNRI-BMIGLBTASA-M 50269998 (S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxamido)-3-phenylpropanoate L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 2500000 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269998&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 7058178 104115390 7719 C09955 ZINC03861782 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629973 C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1 OJCKRNPLOZHAOU-UGKRXNSESA-N 50129555 (1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-oxacyclooctadeca-4,6-dien-2-yl)-cyclopentanecarboxylic acid::2-((1S,8R,9S,11R,13S,15S,18R)-7-Cyano-16-(S)-hydroxy-8-hydroxy-9,11,13,15-tetramethyl-18-oxo-oxacyclooctadeca-4,6-dien-2-yl)-cyclopentanecarboxylic acid::CHEMBL70590::cid_310900 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >2000000 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50129555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50129555&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 6436801 104021138 CHEMBL70590 ZINC14299506 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629974 N[C@H]1CCC[C@H]1C(O)=O InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1 JWYOAMOZLZXDER-UHNVWZDZSA-N 50339908 CHEMBL1191824::[(1R,2S)-2-aminocyclopentane-1-carboxylic acid]::cis-pentacin L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >4000000 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339908&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 73305 131342844 CHEMBL1191824 ZINC01558053 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629975 N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 FTSDEWPMACCNGN-YTMOPEAISA-N 50339905 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE::5'-O-[N-(L-cysteinyl)sulfamoyl]adenosine::CHEMBL1163074::CysSA L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 48.5 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339905&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 5CA 447377 131342841 CHEMBL1163074 ZINC24951193 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50629976 C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1 MINDHVHHQZYEEK-HBBNESRFSA-N 50290686 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid::9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid::9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid::9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid (Mupirocin)::BRL-4910A::Bactroban::CHEMBL719::Centany::MUPIROCIN::Pseudomonic Acid::cid_446596 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >5000000 ChEMBL 10.1016/j.bmcl.2011.02.042 10.7270/Q26Q1XKW 21392992 Gutierrez-Lugo, MT; Bewley, CA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290686&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search MRC 446596 104132238 7025 CHEMBL719 DB00410 C00722 ZINC04102194 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647086 CN(CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O)C1CCCCC1 InChI=1S/C31H34ClN3O3S/c1-34(25-11-3-2-4-12-25)18-8-17-33-30(36)23-15-16-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-13-5-6-14-28(26)39(29)38/h5-7,9-10,13-16,19-20,25H,2-4,8,11-12,17-18,21H2,1H3,(H,33,36) TXKVTAKWTSZFNW-UHFFFAOYSA-N 50347248 CHEMBL1795953 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 85000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347248&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3496652 136353934 CHEMBL1795953 ZINC53371815 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647087 CN(CCCNC(=O)c1ccc2Sc3ccccc3C(=O)N(Cc3cccc(Cl)c3)c2c1)C1CCCCC1 InChI=1S/C31H34ClN3O2S/c1-34(25-11-3-2-4-12-25)18-8-17-33-30(36)23-15-16-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-13-5-6-14-28(26)38-29/h5-7,9-10,13-16,19-20,25H,2-4,8,11-12,17-18,21H2,1H3,(H,33,36) RQRVPWMXIXVSBD-UHFFFAOYSA-N 50347249 CHEMBL1795954 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 280000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347249&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56680548 136353935 CHEMBL1795954 ZINC72173611 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647088 CCCCN(C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O InChI=1S/C29H32ClN3O3S/c1-3-4-16-32(2)17-8-15-31-28(34)22-13-14-27-25(19-22)33(20-21-9-7-10-23(30)18-21)29(35)24-11-5-6-12-26(24)37(27)36/h5-7,9-14,18-19H,3-4,8,15-17,20H2,1-2H3,(H,31,34) LCJJPEZRVRBAPR-UHFFFAOYSA-N 50347250 CHEMBL1795352 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 110000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347250&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3385849 136353936 CHEMBL1795352 ZINC53371695 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647089 CCCCSCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O InChI=1S/C28H29ClN2O3S2/c1-2-3-15-35-16-7-14-30-27(32)21-12-13-26-24(18-21)31(19-20-8-6-9-22(29)17-20)28(33)23-10-4-5-11-25(23)36(26)34/h4-6,8-13,17-18H,2-3,7,14-16,19H2,1H3,(H,30,32) WTPISKMJAPJTPC-UHFFFAOYSA-N 50347251 CHEMBL1795956 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347251&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3496923 136353937 CHEMBL1795956 ZINC53371834 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647090 CCCCN(C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O InChI=1S/C29H32ClN3O4S/c1-3-4-16-32(2)17-8-15-31-28(34)22-13-14-27-25(19-22)33(20-21-9-7-10-23(30)18-21)29(35)24-11-5-6-12-26(24)38(27,36)37/h5-7,9-14,18-19H,3-4,8,15-17,20H2,1-2H3,(H,31,34) VOLQPJGYRMSMKB-UHFFFAOYSA-N 50347252 CHEMBL1795957 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 1700000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347252&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3547912 136353938 CHEMBL1795957 ZINC03063535 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647091 CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)C1 InChI=1S/C31H34ClN3O3S/c1-21-15-22(2)19-34(18-21)14-6-13-33-30(36)24-11-12-29-27(17-24)35(20-23-7-5-8-25(32)16-23)31(37)26-9-3-4-10-28(26)39(29)38/h3-5,7-12,16-17,21-22H,6,13-15,18-20H2,1-2H3,(H,33,36) JONCTUOIKOGBBK-UHFFFAOYSA-N 50347253 CHEMBL1796107 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 500000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347253&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 46374019 136353939 CHEMBL1796107 ZINC72175086 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647092 CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 InChI=1S/C31H34ClN3O4S/c1-21-15-22(2)19-34(18-21)14-6-13-33-30(36)24-11-12-29-27(17-24)35(20-23-7-5-8-25(32)16-23)31(37)26-9-3-4-10-28(26)40(29,38)39/h3-5,7-12,16-17,21-22H,6,13-15,18-20H2,1-2H3,(H,33,36) VSTLDFFVZAQSGM-UHFFFAOYSA-N 50347254 CHEMBL1796108 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 2300000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347254&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 46374049 136353940 CHEMBL1796108 ZINC72177061 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647093 CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O InChI=1S/C31H34ClN3O3S/c1-2-25-11-5-6-17-34(25)18-8-16-33-30(36)23-14-15-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-12-3-4-13-28(26)39(29)38/h3-4,7,9-10,12-15,19-20,25H,2,5-6,8,11,16-18,21H2,1H3,(H,33,36) JVAQZMVDSSVXGG-UHFFFAOYSA-N 50347255 CHEMBL1796109 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 80000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347255&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 46374020 136353941 CHEMBL1796109 ZINC72177063 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647094 CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O InChI=1S/C31H34ClN3O4S/c1-2-25-11-5-6-17-34(25)18-8-16-33-30(36)23-14-15-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-12-3-4-13-28(26)40(29,38)39/h3-4,7,9-10,12-15,19-20,25H,2,5-6,8,11,16-18,21H2,1H3,(H,33,36) FXPRKZKEPVACAU-UHFFFAOYSA-N 50347256 CHEMBL1524507 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 1100000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347256&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 16034351 136353942 CHEMBL1524507 ZINC08583569 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647095 Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1 InChI=1S/C28H28ClN3O4S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-36-16-14-31)9-10-26(24)37(35)25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33) AMBFKEODWGUWFV-UHFFFAOYSA-N 50347257 CHEMBL1448727 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 500000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347257&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3496648 136353943 CHEMBL1448727 ZINC38150042 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647096 Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1 InChI=1S/C28H28ClN3O3S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-35-16-14-31)9-10-26(24)36-25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33) REPBTXGEXRPQIT-UHFFFAOYSA-N 50347258 CHEMBL1732897 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 800000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347258&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 5060420 136353944 CHEMBL1732897 ZINC20685090 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647097 Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1 InChI=1S/C28H28ClN3O5S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-37-16-14-31)9-10-26(24)38(35,36)25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33) WWHXVIWERXOJII-UHFFFAOYSA-N 50347259 CHEMBL1796110 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347259&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3538864 136353945 CHEMBL1796110 ZINC72172318 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647098 Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCCC2)c1 InChI=1S/C28H28ClN3O3S/c29-22-8-5-7-20(17-22)19-32-24-18-21(27(33)30-13-6-16-31-14-3-4-15-31)11-12-26(24)36(35)25-10-2-1-9-23(25)28(32)34/h1-2,5,7-12,17-18H,3-4,6,13-16,19H2,(H,30,33) RAXSRGJYBRXWEH-UHFFFAOYSA-N 50347260 CHEMBL1706296 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 100000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347260&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3496658 136353946 CHEMBL1706296 ZINC15905768 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647099 Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCCC2)c1 InChI=1S/C28H28ClN3O2S/c29-22-8-5-7-20(17-22)19-32-24-18-21(27(33)30-13-6-16-31-14-3-4-15-31)11-12-26(24)35-25-10-2-1-9-23(25)28(32)34/h1-2,5,7-12,17-18H,3-4,6,13-16,19H2,(H,30,33) ZIOXPAOJQOZNQG-UHFFFAOYSA-N 50347261 CHEMBL1796111 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 130000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347261&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 5003173 136353947 CHEMBL1796111 ZINC02912926 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647100 CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)C1 InChI=1S/C30H32ClN3O3S/c1-21-7-5-15-33(19-21)16-6-14-32-29(35)23-12-13-28-26(18-23)34(20-22-8-4-9-24(31)17-22)30(36)25-10-2-3-11-27(25)38(28)37/h2-4,8-13,17-18,21H,5-7,14-16,19-20H2,1H3,(H,32,35) WBNPBXSTUXIXRN-UHFFFAOYSA-N 50347262 CHEMBL1796112 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 150000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347262&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 46374018 136353948 CHEMBL1796112 ZINC72173310 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647101 Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCN2CCCCCC2)c1 InChI=1S/C29H30ClN3O3S/c30-23-9-7-8-21(18-23)20-33-25-19-22(28(34)31-14-17-32-15-5-1-2-6-16-32)12-13-27(25)37(36)26-11-4-3-10-24(26)29(33)35/h3-4,7-13,18-19H,1-2,5-6,14-17,20H2,(H,31,34) DKWRLBHQKYFJQS-UHFFFAOYSA-N 50347263 CHEMBL1796113 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 100000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347263&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3512874 136353949 CHEMBL1796113 ZINC53371842 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647102 CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O InChI=1S/C30H34ClN3O3S/c1-3-16-33(17-4-2)18-8-15-32-29(35)23-13-14-28-26(20-23)34(21-22-9-7-10-24(31)19-22)30(36)25-11-5-6-12-27(25)38(28)37/h5-7,9-14,19-20H,3-4,8,15-18,21H2,1-2H3,(H,32,35) WYQUSSDOWUPEFO-UHFFFAOYSA-N 50347264 CHEMBL1796114 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 100000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347264&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3496660 136353950 CHEMBL1796114 ZINC53371827 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647103 Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCCCC2)c1 InChI=1S/C29H30ClN3O2S/c30-23-9-6-8-21(18-23)20-33-25-19-22(28(34)31-14-7-17-32-15-4-1-5-16-32)12-13-27(25)36-26-11-3-2-10-24(26)29(33)35/h2-3,6,8-13,18-19H,1,4-5,7,14-17,20H2,(H,31,34) KHQPXNQBVRANJA-UHFFFAOYSA-N 50347265 CHEMBL1796115 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 320000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347265&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3606874 136353951 CHEMBL1796115 ZINC02912918 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647104 CN(CCc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O InChI=1S/C30H25ClN2O4S/c1-32(17-16-21-8-3-2-4-9-21)29(34)23-14-15-28-26(19-23)33(20-22-10-7-11-24(31)18-22)30(35)25-12-5-6-13-27(25)38(28,36)37/h2-15,18-19H,16-17,20H2,1H3 IBBPWFDZEALWKK-UHFFFAOYSA-N 50347266 CHEMBL1796116 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347266&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56663533 136353952 CHEMBL1796116 ZINC72173339 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647105 Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCC2CCCN2)c1 InChI=1S/C26H24ClN3O4S/c27-19-6-3-5-17(13-19)16-30-22-14-18(25(31)29-15-20-7-4-12-28-20)10-11-24(22)35(33,34)23-9-2-1-8-21(23)26(30)32/h1-3,5-6,8-11,13-14,20,28H,4,7,12,15-16H2,(H,29,31) VRPINELRRZUBLQ-UHFFFAOYSA-N 50347267 CHEMBL1796117 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 2500000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347267&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56663534 136353953 CHEMBL1796117 ZINC72173267 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647106 CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O)C1CCCCC1 InChI=1S/C31H35N3O3S/c1-33(25-13-6-3-7-14-25)20-10-19-32-30(35)24-17-18-29-27(21-24)34(22-23-11-4-2-5-12-23)31(36)26-15-8-9-16-28(26)38(29)37/h2,4-5,8-9,11-12,15-18,21,25H,3,6-7,10,13-14,19-20,22H2,1H3,(H,32,35) MUJWCGZEJNELMR-UHFFFAOYSA-N 50347268 CHEMBL1796118 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 300000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347268&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20861023 136353954 CHEMBL1796118 ZINC20242831 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647107 CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 InChI=1S/C31H35N3O4S/c1-33(25-13-6-3-7-14-25)20-10-19-32-30(35)24-17-18-29-27(21-24)34(22-23-11-4-2-5-12-23)31(36)26-15-8-9-16-28(26)39(29,37)38/h2,4-5,8-9,11-12,15-18,21,25H,3,6-7,10,13-14,19-20,22H2,1H3,(H,32,35) WMPHIQFJVGHIAS-UHFFFAOYSA-N 50347269 CHEMBL1796119 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 500000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347269&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20861252 136353955 CHEMBL1796119 ZINC72173084 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647108 CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 InChI=1S/C30H33N3O4S/c1-22-9-7-17-32(20-22)18-8-16-31-29(34)24-14-15-28-26(19-24)33(21-23-10-3-2-4-11-23)30(35)25-12-5-6-13-27(25)38(28,36)37/h2-6,10-15,19,22H,7-9,16-18,20-21H2,1H3,(H,31,34) NBVYLZJKUVNGEN-UHFFFAOYSA-N 50347270 CHEMBL1796120 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 1700000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347270&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20861251 136353956 CHEMBL1796120 ZINC20243338 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647109 O=C(NCCCSC1CCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O InChI=1S/C30H32N2O3S2/c33-29(31-18-9-19-36-24-12-5-2-6-13-24)23-16-17-28-26(20-23)32(21-22-10-3-1-4-11-22)30(34)25-14-7-8-15-27(25)37(28)35/h1,3-4,7-8,10-11,14-17,20,24H,2,5-6,9,12-13,18-19,21H2,(H,31,33) NXPQTRVIWGXVPV-UHFFFAOYSA-N 50347271 CHEMBL1796121 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347271&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20861026 136353957 CHEMBL1796121 ZINC72173491 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647110 CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2=O InChI=1S/C25H33N3O3S/c1-4-15-27(16-5-2)17-9-14-26-24(29)19-12-13-23-21(18-19)28(6-3)25(30)20-10-7-8-11-22(20)32(23)31/h7-8,10-13,18H,4-6,9,14-17H2,1-3H3,(H,26,29) JOUOMWRMSLNINZ-UHFFFAOYSA-N 50347272 CHEMBL1329194 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347272&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 3244309 136353958 CHEMBL1329194 ZINC04034982 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647111 CCN1c2cc(ccc2S(=O)c2ccccc2C1=O)C(=O)NCCCN1CCOCC1 InChI=1S/C23H27N3O4S/c1-2-26-19-16-17(22(27)24-10-5-11-25-12-14-30-15-13-25)8-9-21(19)31(29)20-7-4-3-6-18(20)23(26)28/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,24,27) CTHMMJGYXMGVEX-UHFFFAOYSA-N 50347273 CHEMBL1796123 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347273&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20861042 136353959 CHEMBL1796123 ZINC20242885 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647112 CN(C)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2=O InChI=1S/C26H26ClN3O3S/c1-29(2)15-5-14-28-25(31)19-10-13-24-22(16-19)30(17-18-8-11-20(27)12-9-18)26(32)21-6-3-4-7-23(21)34(24)33/h3-4,6-13,16H,5,14-15,17H2,1-2H3,(H,28,31) FDILSEFXWQLOGE-UHFFFAOYSA-N 50347274 CHEMBL1796124 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 340000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347274&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56660080 136353960 CHEMBL1796124 ZINC72173442 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647113 CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 InChI=1S/C31H34ClN3O4S/c1-34(25-8-3-2-4-9-25)19-7-18-33-30(36)23-14-17-29-27(20-23)35(21-22-12-15-24(32)16-13-22)31(37)26-10-5-6-11-28(26)40(29,38)39/h5-6,10-17,20,25H,2-4,7-9,18-19,21H2,1H3,(H,33,36) PUXUIXQOXURORP-UHFFFAOYSA-N 50347275 CHEMBL1796125 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 330000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347275&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 46255433 136353961 CHEMBL1796125 ZINC72174347 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647114 Clc1ccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCCC2)cc1 InChI=1S/C28H28ClN3O4S/c29-22-11-8-20(9-12-22)19-32-24-18-21(27(33)30-14-5-17-31-15-3-4-16-31)10-13-26(24)37(35,36)25-7-2-1-6-23(25)28(32)34/h1-2,6-13,18H,3-5,14-17,19H2,(H,30,33) RKOSERSRNKFCCZ-UHFFFAOYSA-N 50347276 CHEMBL1796126 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 250000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347276&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20861145 136353962 CHEMBL1796126 ZINC72173134 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647115 CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3=O)C1 InChI=1S/C30H32FN3O3S/c1-21-6-4-16-33(19-21)17-5-15-32-29(35)23-11-14-28-26(18-23)34(20-22-9-12-24(31)13-10-22)30(36)25-7-2-3-8-27(25)38(28)37/h2-3,7-14,18,21H,4-6,15-17,19-20H2,1H3,(H,32,35) SQKDINORIMCUSU-UHFFFAOYSA-N 50347277 CHEMBL1300146 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 710000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347277&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20860966 136353963 CHEMBL1300146 ZINC38146807 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647116 CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O InChI=1S/C30H34FN3O3S/c1-3-17-33(18-4-2)19-7-16-32-29(35)23-12-15-28-26(20-23)34(21-22-10-13-24(31)14-11-22)30(36)25-8-5-6-9-27(25)38(28)37/h5-6,8-15,20H,3-4,7,16-19,21H2,1-2H3,(H,32,35) FITBJHMSYKQUFR-UHFFFAOYSA-N 50347278 CHEMBL1796127 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347278&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 20860963 136353964 CHEMBL1796127 ZINC72173471 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647117 CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O)C1CCCCC1 InChI=1S/C31H34FN3O3S/c1-34(25-8-3-2-4-9-25)19-7-18-33-30(36)23-14-17-29-27(20-23)35(21-22-12-15-24(32)16-13-22)31(37)26-10-5-6-11-28(26)39(29)38/h5-6,10-17,20,25H,2-4,7-9,18-19,21H2,1H3,(H,33,36) MDBJKEVTZVRTPR-UHFFFAOYSA-N 50347279 CHEMBL1796128 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347279&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56680556 136353965 CHEMBL1796128 ZINC72173235 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647118 CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 InChI=1S/C30H32FN3O4S/c1-21-8-6-16-33(19-21)17-7-15-32-29(35)22-13-14-28-26(18-22)34(20-23-9-2-4-11-25(23)31)30(36)24-10-3-5-12-27(24)39(28,37)38/h2-5,9-14,18,21H,6-8,15-17,19-20H2,1H3,(H,32,35) MUFLNTOMTHKLPV-UHFFFAOYSA-N 50347280 CHEMBL1300373 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 800000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347280&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 16008046 136353966 CHEMBL1300373 ZINC08597828 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647119 CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3=O)C1 InChI=1S/C31H34FN3O3S/c1-21-16-22(2)19-34(18-21)15-7-14-33-30(36)23-12-13-29-27(17-23)35(20-24-8-3-5-10-26(24)32)31(37)25-9-4-6-11-28(25)39(29)38/h3-6,8-13,17,21-22H,7,14-16,18-20H2,1-2H3,(H,33,36) LREBZSFQVNJDOZ-UHFFFAOYSA-N 50347281 CHEMBL1796129 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347281&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56673915 136353967 CHEMBL1796129 ZINC72173161 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647120 CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1S2=O)C1CCCCC1 InChI=1S/C33H39N3O3S/c1-23-14-15-26(24(2)20-23)22-36-29-21-25(32(37)34-18-9-19-35(3)27-10-5-4-6-11-27)16-17-31(29)40(39)30-13-8-7-12-28(30)33(36)38/h7-8,12-17,20-21,27H,4-6,9-11,18-19,22H2,1-3H3,(H,34,37) ZJRYVYSMLLTUKI-UHFFFAOYSA-N 50347282 CHEMBL1796130 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 2000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347282&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56673916 136353968 CHEMBL1796130 ZINC72173430 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647121 CCN(CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1S2=O InChI=1S/C30H35N3O3S/c1-5-32(6-2)17-9-16-31-29(34)23-14-15-28-26(19-23)33(20-24-13-12-21(3)18-22(24)4)30(35)25-10-7-8-11-27(25)37(28)36/h7-8,10-15,18-19H,5-6,9,16-17,20H2,1-4H3,(H,31,34) FZXIWDFNEZVGIF-UHFFFAOYSA-N 50347283 CHEMBL1796131 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347283&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56663535 136353969 CHEMBL1796131 ZINC72173112 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647122 Cc1ccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCCC2)c(C)c1 InChI=1S/C30H33N3O4S/c1-21-10-11-24(22(2)18-21)20-33-26-19-23(29(34)31-14-7-17-32-15-5-6-16-32)12-13-28(26)38(36,37)27-9-4-3-8-25(27)30(33)35/h3-4,8-13,18-19H,5-7,14-17,20H2,1-2H3,(H,31,34) NXTPIKUEZVQNPH-UHFFFAOYSA-N 50347284 CHEMBL1796132 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis 1400000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347284&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56677254 136353970 CHEMBL1796132 ZINC72173113 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017 50647123 Cc1ccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c(C)c1 InChI=1S/C30H33N3O5S/c1-21-8-9-24(22(2)18-21)20-33-26-19-23(29(34)31-12-5-13-32-14-16-38-17-15-32)10-11-28(26)39(36,37)27-7-4-3-6-25(27)30(33)35/h3-4,6-11,18-19H,5,12-17,20H2,1-2H3,(H,31,34) SRTKLWQZTRBGPC-UHFFFAOYSA-N 50347285 CHEMBL1796133 L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase Mycobacterium tuberculosis >3000000 ChEMBL 10.1016/j.bmc.2011.05.028 10.7270/Q2MS3T40 21665483 Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004723&target=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347285&enzyme=L-cysteine%3A1D-myo-inositol+2-amino-2-deoxy-alpha-D-glucopyranoside+ligase&column=ki&startPg=0&Increment=50&submit=Search 56683895 136353971 CHEMBL1796133 ZINC72173269 1 MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase MSHC_MYCTU P9WJM9 L0T8X7 O33264 P67017