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 50604665 COC(=O)Cc1nc2cc(Cl)ccc2oc1=O InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 UHTORUJRHIDGRZ-UHFFFAOYSA-N 50329085 (Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269408 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 22500 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329085&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 51401336 123108200 CHEMBL1269408 ZINC04204988 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604666 COC(=O)Cc1nc2ccccc2oc1=O InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3 SKHJMUGEGHPNNU-UHFFFAOYSA-N 50329094 (Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269380 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 67000 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329094&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 13810409 123108209 CHEMBL1269380 ZINC13563629 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604667 COC(=O)Cc1nc2cc(F)ccc2oc1=O InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 CMBVLYZJVKXZRD-UHFFFAOYSA-N 50329084 (Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269407 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 10100 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329084&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933557 123108199 CHEMBL1269407 ZINC64526376 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604668 COC(=O)Cc1nc2cc(Cl)ccc2oc1=O InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 UHTORUJRHIDGRZ-UHFFFAOYSA-N 50329085 (Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269408 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 18500 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329085&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 51401336 123108200 CHEMBL1269408 ZINC04204988 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604669 COC(=O)Cc1nc2ccccc2oc1=O InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3 SKHJMUGEGHPNNU-UHFFFAOYSA-N 50329094 (Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269380 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329094&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 13810409 123108209 CHEMBL1269380 ZINC13563629 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604662 COC(=O)Cc1nc2ccccc2sc1=O InChI=1S/C11H9NO3S/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3 GVCJHHNPUWKLPU-UHFFFAOYSA-N 50329093 (Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]thiazin-3(4H)-ylidene)acetate::CHEMBL1269474 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >140000 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329093&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 51581695 123108208 CHEMBL1269474 ZINC18324606 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604663 COC(=O)Cc1nc2ccccc2oc1=O InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3 SKHJMUGEGHPNNU-UHFFFAOYSA-N 50329094 (Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269380 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 9100 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329094&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 13810409 123108209 CHEMBL1269380 ZINC13563629 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604664 COC(=O)Cc1nc2cc(F)ccc2oc1=O InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 CMBVLYZJVKXZRD-UHFFFAOYSA-N 50329084 (Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269407 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 11500 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329084&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933557 123108199 CHEMBL1269407 ZINC64526376 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604651 COC(=O)Cc1nc2c(C)cccc2oc1=O InChI=1S/C12H11NO4/c1-7-4-3-5-9-11(7)13-8(12(15)17-9)6-10(14)16-2/h3-5H,6H2,1-2H3 QBFOJCZZLNOOMK-UHFFFAOYSA-N 50329082 (Z)-methyl 2-(5-methyl-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269381 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 24100 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329082&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933556 123108197 CHEMBL1269381 ZINC64512494 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604652 COC(=O)Cc1nc2cc(C)ccc2oc1=O InChI=1S/C12H11NO4/c1-7-3-4-10-8(5-7)13-9(12(15)17-10)6-11(14)16-2/h3-5H,6H2,1-2H3 YDENHTJIVGXADM-UHFFFAOYSA-N 50329083 (Z)-methyl 2-(6-methyl-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269382 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 23100 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329083&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 51509843 123108198 CHEMBL1269382 ZINC12550790 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604653 COC(=O)Cc1nc2cc(F)ccc2oc1=O InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 CMBVLYZJVKXZRD-UHFFFAOYSA-N 50329084 (Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269407 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 27000 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329084&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933557 123108199 CHEMBL1269407 ZINC64526376 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604654 COC(=O)Cc1nc2cc(Cl)ccc2oc1=O InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3 UHTORUJRHIDGRZ-UHFFFAOYSA-N 50329085 (Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269408 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 46300 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329085&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 51401336 123108200 CHEMBL1269408 ZINC04204988 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604655 COC(=O)Cc1nc2cc(ccc2oc1=O)[N+]([O-])=O InChI=1S/C11H8N2O6/c1-18-10(14)5-8-11(15)19-9-3-2-6(13(16)17)4-7(9)12-8/h2-4H,5H2,1H3 LMPDTBPOJXDHEB-UHFFFAOYSA-N 50329086 (Z)-methyl 2-(6-nitro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269409 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 28200 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329086&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933558 123108201 CHEMBL1269409 ZINC64528514 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604656 CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)OC)nc2c1 InChI=1S/C13H13NO6S/c1-3-21(17,18)8-4-5-11-9(6-8)14-10(13(16)20-11)7-12(15)19-2/h4-6H,3,7H2,1-2H3 VNOSMITYMXLGPG-UHFFFAOYSA-N 50329087 (Z)-methyl 2-(6-(ethylsulfonyl)-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1270877 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 17900 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329087&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933559 123108202 CHEMBL1270877 ZINC64511873 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604657 COC(=O)Cc1nc2ccc(C)cc2oc1=O InChI=1S/C12H11NO4/c1-7-3-4-8-10(5-7)17-12(15)9(13-8)6-11(14)16-2/h3-5H,6H2,1-2H3 JTJOHXRBKVUVMH-UHFFFAOYSA-N 50329088 (Z)-methyl 2-(7-methyl-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269410 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 18200 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329088&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933560 123108203 CHEMBL1269410 ZINC64528515 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604658 COC(=O)Cc1nc2ccc(F)cc2oc1=O InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-4-6(12)2-3-7(9)13-8/h2-4H,5H2,1H3 MWPAFDJUUZGQDZ-UHFFFAOYSA-N 50329089 (Z)-methyl 2-(7-fluoro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269430 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 30000 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329089&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933561 123108204 CHEMBL1269430 ZINC64513131 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604659 COC(=O)Cc1nc2ccc(Cl)cc2oc1=O InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-4-6(12)2-3-7(9)13-8/h2-4H,5H2,1H3 OMLPEXYMYZOUBF-UHFFFAOYSA-N 50329090 (Z)-methyl 2-(7-chloro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269431 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 35700 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329090&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933562 123108205 CHEMBL1269431 ZINC64513622 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604660 COC(=O)Cc1nc2ccc(cc2oc1=O)[N+]([O-])=O InChI=1S/C11H8N2O6/c1-18-10(14)5-8-11(15)19-9-4-6(13(16)17)2-3-7(9)12-8/h2-4H,5H2,1H3 DWDHCCOKAXAEGX-UHFFFAOYSA-N 50329091 (Z)-methyl 2-(7-nitro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate::CHEMBL1269432 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 20300 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329091&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 91933563 123108206 CHEMBL1269432 ZINC64513624 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50604661 COC(=O)Cc1nc2ccccc2[nH]c1=O InChI=1S/C11H10N2O3/c1-16-10(14)6-9-11(15)13-8-5-3-2-4-7(8)12-9/h2-5H,6H2,1H3,(H,13,15) NCZWKMDHRFNLOG-UHFFFAOYSA-N 50329092 (Z)-methyl 2-(3-oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetate::CHEMBL1269433 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >122000 ChEMBL 10.1016/j.bmcl.2010.08.076 10.7270/Q2M045PR 20850304 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Stony Brook University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329092&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 310826 123108207 CHEMBL1269433 ZINC18122869 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931983 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 GTXSZCCMMWMXRE-DVXAHSAASA-N 50382337 CHEMBL2024335 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 1630 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382337&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681446 160861420 CHEMBL2024335 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931984 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1 PWJRHDWZFQSMEK-DVXAHSAASA-N 50382338 CHEMBL2024344 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 49 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382338&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681447 160861421 CHEMBL2024344 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931985 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 MHHDFEHWWHJRAM-DVXAHSAASA-N 50382339 CHEMBL2024338 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 97 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382339&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70694058 160861422 CHEMBL2024338 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931986 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 GTXSZCCMMWMXRE-DVXAHSAASA-N 50382337 CHEMBL2024335 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 350 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382337&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681446 160861420 CHEMBL2024335 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931987 COc1ccccc1C(=O)CC(N[C@@H](C)c1ccccc1)C(O)=O InChI=1S/C19H21NO4/c1-13(14-8-4-3-5-9-14)20-16(19(22)23)12-17(21)15-10-6-7-11-18(15)24-2/h3-11,13,16,20H,12H2,1-2H3,(H,22,23)/t13-,16?/m0/s1 LLIYADKMWJCWPF-KNVGNIICSA-N 50382340 CHEMBL2024258 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382340&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681443 160861423 CHEMBL2024258 ZINC84604769 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931988 C[C@H](NC(CC(=O)c1ccccc1C(F)(F)F)C(O)=O)c1ccccc1 InChI=1S/C19H18F3NO3/c1-12(13-7-3-2-4-8-13)23-16(18(25)26)11-17(24)14-9-5-6-10-15(14)19(20,21)22/h2-10,12,16,23H,11H2,1H3,(H,25,26)/t12-,16?/m0/s1 WUDYUQXXUZPWMX-HKALDPMFSA-N 50382341 CHEMBL2024257 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 3200 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382341&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70685668 160861424 CHEMBL2024257 ZINC84604765 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931989 C[C@H](NC(CC(=O)c1ccccc1Cl)C(O)=O)c1ccccc1 InChI=1S/C18H18ClNO3/c1-12(13-7-3-2-4-8-13)20-16(18(22)23)11-17(21)14-9-5-6-10-15(14)19/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16?/m0/s1 SPELZRHAASKTIW-HKALDPMFSA-N 50382342 CHEMBL2024256 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 8400 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382342&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70687819 160861425 CHEMBL2024256 ZINC84597075 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931990 C[C@H](NC(CC(=O)c1ccc(Cl)cc1)C(O)=O)c1ccccc1 InChI=1S/C18H18ClNO3/c1-12(13-5-3-2-4-6-13)20-16(18(22)23)11-17(21)14-7-9-15(19)10-8-14/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16?/m0/s1 RLEWBMDMJWBHPK-HKALDPMFSA-N 50382343 CHEMBL2024255 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 11700 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382343&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70694052 160861426 CHEMBL2024255 ZINC84602445 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931991 C[C@H](NC(CC(=O)c1ccc(F)cc1)C(O)=O)c1ccccc1 InChI=1S/C18H18FNO3/c1-12(13-5-3-2-4-6-13)20-16(18(22)23)11-17(21)14-7-9-15(19)10-8-14/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16?/m0/s1 KSHWGVIVSLPHCE-HKALDPMFSA-N 50382344 CHEMBL2024254 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 14400 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382344&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70692011 160861427 CHEMBL2024254 ZINC00044383 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931992 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCC(=O)c1ccc(Cl)cc1Cl InChI=1S/C30H42Cl2N7O17P3S/c1-30(2,25(43)28(44)35-7-5-21(41)34-8-10-60-9-6-19(40)17-4-3-16(31)11-18(17)32)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(42)29(54-20)39-15-38-22-26(33)36-14-37-27(22)39/h3-4,11,14-15,20,23-25,29,42-43H,5-10,12-13H2,1-2H3,(H,34,41)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20-,23-,24-,25+,29-/m1/s1 ULBNQYZULRMISY-ZXUSYNAMSA-N 50382345 CHEMBL2024346 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >400000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382345&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70689863 160861428 CHEMBL2024346 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931993 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)c1ccc(Cl)cc1Cl InChI=1S/C31H42Cl2N7O18P3S/c1-31(2,26(45)29(46)36-8-7-21(42)35-9-10-62-22(43)6-5-19(41)17-4-3-16(32)11-18(17)33)13-55-61(52,53)58-60(50,51)54-12-20-25(57-59(47,48)49)24(44)30(56-20)40-15-39-23-27(34)37-14-38-28(23)40/h3-4,11,14-15,20,24-26,30,44-45H,5-10,12-13H2,1-2H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t20-,24-,25-,26+,30-/m1/s1 WMOMHIPTIIOMJF-HSJNEKGZSA-N 50382346 CHEMBL2024345 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 2200 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382346&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70689862 160861429 CHEMBL2024345 C00040 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931994 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1 PWJRHDWZFQSMEK-DVXAHSAASA-N 50382338 CHEMBL2024344 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 106 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382338&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681447 160861421 CHEMBL2024344 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931995 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1cccc(Cl)c1)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-7-6-21(41)34-8-9-62-20(30(45)46)11-18(40)16-4-3-5-17(32)10-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-5,10,14-15,19-20,23-25,29,42-43H,6-9,11-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 HTRDUODDJVWELE-DVXAHSAASA-N 50382347 CHEMBL2024343 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 14100 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382347&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70696179 160861430 CHEMBL2024343 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931996 COc1ccccc1C(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)=O InChI=1S/C32H46N7O20P3S/c1-32(2,26(43)29(44)35-9-8-22(41)34-10-11-63-21(31(45)46)12-18(40)17-6-4-5-7-19(17)54-3)14-56-62(52,53)59-61(50,51)55-13-20-25(58-60(47,48)49)24(42)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h4-7,15-16,20-21,24-26,30,42-43H,8-14H2,1-3H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,21?,24-,25-,26+,30-/m1/s1 YFDUBKBWVNCNMG-QENOOWRWSA-N 50382348 CHEMBL2024342 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 12100 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382348&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70694059 160861431 CHEMBL2024342 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931997 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1[N+]([O-])=O)C(O)=O InChI=1S/C31H43N8O21P3S/c1-31(2,25(43)28(44)34-8-7-21(41)33-9-10-64-20(30(45)46)11-18(40)16-5-3-4-6-17(16)39(47)48)13-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(42)29(58-19)38-15-37-22-26(32)35-14-36-27(22)38/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,33,41)(H,34,44)(H,45,46)(H,52,53)(H,54,55)(H2,32,35,36)(H2,49,50,51)/t19-,20?,23-,24-,25+,29-/m1/s1 AKNMIGDAWDDWDJ-DVXAHSAASA-N 50382349 CHEMBL2024341 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 154 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382349&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70696178 160861432 CHEMBL2024341 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931998 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1I)C(O)=O InChI=1S/C31H43IN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 LAGVRAZEDKCRJC-DVXAHSAASA-N 50382350 CHEMBL2024340 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 421 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382350&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70685672 160861433 CHEMBL2024340 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50931999 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Br)C(O)=O InChI=1S/C31H43BrN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 YLPDHFGNERHHRW-DVXAHSAASA-N 50382351 CHEMBL2024339 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 135 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382351&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70685671 160861434 CHEMBL2024339 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932000 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 MHHDFEHWWHJRAM-DVXAHSAASA-N 50382339 CHEMBL2024338 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 103 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382339&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70694058 160861422 CHEMBL2024338 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932001 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1F)C(O)=O InChI=1S/C31H43FN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 XJOHAVMLVPIGKM-DVXAHSAASA-N 50382352 CHEMBL2024337 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 204 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382352&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70696177 160861435 CHEMBL2024337 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932002 COc1ccc(cc1)C(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)=O InChI=1S/C32H46N7O20P3S/c1-32(2,26(43)29(44)35-9-8-22(41)34-10-11-63-21(31(45)46)12-19(40)17-4-6-18(54-3)7-5-17)14-56-62(52,53)59-61(50,51)55-13-20-25(58-60(47,48)49)24(42)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h4-7,15-16,20-21,24-26,30,42-43H,8-14H2,1-3H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,21?,24-,25-,26+,30-/m1/s1 LBDVGJVEQNBEHC-QENOOWRWSA-N 50382353 CHEMBL2024336 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 33500 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382353&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70683566 160861436 CHEMBL2024336 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932003 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 GTXSZCCMMWMXRE-DVXAHSAASA-N 50382337 CHEMBL2024335 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 468 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382337&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681446 160861420 CHEMBL2024335 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932004 COc1ccccc1C(=O)CC(N[C@@H](C)c1ccccc1)C(O)=O InChI=1S/C19H21NO4/c1-13(14-8-4-3-5-9-14)20-16(19(22)23)12-17(21)15-10-6-7-11-18(15)24-2/h3-11,13,16,20H,12H2,1-2H3,(H,22,23)/t13-,16?/m0/s1 LLIYADKMWJCWPF-KNVGNIICSA-N 50382340 CHEMBL2024258 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382340&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681443 160861423 CHEMBL2024258 ZINC84604769 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932005 C[C@H](NC(CC(=O)c1ccccc1C(F)(F)F)C(O)=O)c1ccccc1 InChI=1S/C19H18F3NO3/c1-12(13-7-3-2-4-8-13)23-16(18(25)26)11-17(24)14-9-5-6-10-15(14)19(20,21)22/h2-10,12,16,23H,11H2,1H3,(H,25,26)/t12-,16?/m0/s1 WUDYUQXXUZPWMX-HKALDPMFSA-N 50382341 CHEMBL2024257 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382341&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70685668 160861424 CHEMBL2024257 ZINC84604765 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932006 C[C@H](NC(CC(=O)c1ccccc1Cl)C(O)=O)c1ccccc1 InChI=1S/C18H18ClNO3/c1-12(13-7-3-2-4-8-13)20-16(18(22)23)11-17(21)14-9-5-6-10-15(14)19/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16?/m0/s1 SPELZRHAASKTIW-HKALDPMFSA-N 50382342 CHEMBL2024256 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382342&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70687819 160861425 CHEMBL2024256 ZINC84597075 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932007 C[C@H](NC(CC(=O)c1ccc(Cl)cc1)C(O)=O)c1ccccc1 InChI=1S/C18H18ClNO3/c1-12(13-5-3-2-4-6-13)20-16(18(22)23)11-17(21)14-7-9-15(19)10-8-14/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16?/m0/s1 RLEWBMDMJWBHPK-HKALDPMFSA-N 50382343 CHEMBL2024255 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382343&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70694052 160861426 CHEMBL2024255 ZINC84602445 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932008 C[C@H](NC(CC(=O)c1ccccc1)C(O)=O)c1ccccc1 InChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)19-16(18(21)22)12-17(20)15-10-6-3-7-11-15/h2-11,13,16,19H,12H2,1H3,(H,21,22)/t13-,16?/m0/s1 UYSCCJDWKFPZAD-KNVGNIICSA-N 50382354 CHEMBL2024253 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382354&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 11770951 160861437 CHEMBL2024253 ZINC36421946 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932009 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1 PWJRHDWZFQSMEK-DVXAHSAASA-N 50382338 CHEMBL2024344 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 286 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382338&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70681447 160861421 CHEMBL2024344 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932010 C[C@H](NC(CC(=O)c1ccccc1)C(O)=O)c1ccccc1 InChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)19-16(18(21)22)12-17(20)15-10-6-3-7-11-15/h2-11,13,16,19H,12H2,1H3,(H,21,22)/t13-,16?/m0/s1 UYSCCJDWKFPZAD-KNVGNIICSA-N 50382354 CHEMBL2024253 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 52700 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382354&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 11770951 160861437 CHEMBL2024253 ZINC36421946 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932011 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1 MHHDFEHWWHJRAM-DVXAHSAASA-N 50382339 CHEMBL2024338 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis 792 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382339&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70694058 160861422 CHEMBL2024338 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7 50932012 C[C@H](NC(CC(=O)c1ccc(F)cc1)C(O)=O)c1ccccc1 InChI=1S/C18H18FNO3/c1-12(13-5-3-2-4-6-13)20-16(18(22)23)11-17(21)14-7-9-15(19)10-8-14/h2-10,12,16,20H,11H2,1H3,(H,22,23)/t12-,16?/m0/s1 KSHWGVIVSLPHCE-HKALDPMFSA-N 50382344 CHEMBL2024254 1,4-dihydroxy-2-naphthoyl-CoA synthase Mycobacterium tuberculosis >120000 ChEMBL 10.1021/ml200141e 10.7270/Q2B56KRM 22267981 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004605&target=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382344&enzyme=1%2C4-dihydroxy-2-naphthoyl-CoA+synthase&column=ki&startPg=0&Increment=50&submit=Search 70692011 160861427 CHEMBL2024254 ZINC00044383 1 MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF 1Q51,1Q52,1RJM,1RJN,3T8A,3T8B,4QII,4QIJ 1,4-dihydroxy-2-naphthoyl-CoA synthase MENB_MYCTU P9WNP5 L0T442 O06414 Q7D9N7