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 53365 Nc1ccccc1S(N)(=O)=O InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) YAZSBRQTAHVVGE-UHFFFAOYSA-N 10855 2-aminobenzene-1-sulfonamide::CHEMBL6705::US10172837, 2-aminobenzenesulfonamide::aromatic/heteroaromatic sulfonamide 1::orthanilamide 17 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9230 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10855&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 72894 46511428 CHEMBL6705 ZINC00163348 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53366 Nc1ccc(cc1)S(N)(=O)=O InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N 10857 4-aminobenzene-1-sulfonamide::CHEMBL21::Sulfanilamide::aromatic sulfonamide compound 5::aromatic/heteroaromatic sulfonamide 2::halogenosulfanilamide deriv. 5a Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9840 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10857&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search SAN 8BCB,1AJ0,4F93,4F92,4COQ,6RL9 5333 46511429 45373 CHEMBL21 DB00259 C07458 ZINC00002101 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53367 NS(=O)(=O)c1ccc(CCC(O)=O)cc1 InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) JUEONDBIBADVGD-UHFFFAOYSA-N 29277 CHEMBL451332::sulfonamide, 3 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7930 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29277&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search M28 2NN1,2NNO 3161908 81054706 CHEMBL451332 DB08156 ZINC04362893 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53368 Cc1ccc(cc1)S(N)(=O)=O InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) LMYRWZFENFIFIT-UHFFFAOYSA-N 10859 4-methylbenzene-1-sulfonamide::CHEMBL574::aromatic/heteroaromatic sulfonamide 4::hCA inhibitor, 7 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4920 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10859&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4J8 4YXI,6GM9,5RTL,7OYP 6269 46511431 51094 CHEMBL574 C14412 ZINC00388056 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53369 NCc1ccc(cc1)S(N)(=O)=O InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) TYMRLRRVMHJFTF-UHFFFAOYSA-N 10860 4-(aminomethyl)benzene-1-sulfonamide::CHEMBL419::MAFENIDE::aromatic sulfonamide compound 6::aromatic/heteroaromatic sulfonamide 5::hCA inhibitor, 9 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8690 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10860&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 6LH 5JNC 3998 46511432 CHEMBL419 DB06795 C07106 ZINC00001644 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53370 NCCc1ccc(cc1)S(N)(=O)=O InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) FXNSVEQMUYPYJS-UHFFFAOYSA-N 10861 4-(2-aminoethyl)benzene-1-sulfonamide::CHEMBL7087::aromatic sulfonamide compound 7::aromatic/heteroaromatic sulfonamide 6 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9560 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10861&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ZYX 2NNG 169682 46511433 CHEMBL7087 DB08782 ZINC00056629 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53371 Nc1ccc(cc1F)S(N)(=O)=O InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11) HVFBADWBKHAPKV-UHFFFAOYSA-N 10862 4-Amino-3-fluorobenzenesulfonamide::4-amino-3-fluorobenzene-1-sulfonamide::CHEMBL6853::aromatic/heteroaromatic sulfonamide 7::halogenosulfanilamide deriv. 5b Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8740 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10862&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4687472 46511434 CHEMBL6853 ZINC06925827 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53372 Nc1ccc(cc1Cl)S(N)(=O)=O InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11) LFIOFZKZCDMGFG-UHFFFAOYSA-N 10863 4-Amino-3-chlorobenzenesulfonamide::4-amino-3-chlorobenzene-1-sulfonamide::CHEMBL7092::aromatic/heteroaromatic sulfonamide 8::halogenosulfanilamide deriv. 5c Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7520 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10863&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 1502014 46511435 CHEMBL7092 ZINC01420707 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53373 Nc1ccc(cc1Br)S(N)(=O)=O InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11) KQEVQYJWCZRLTJ-UHFFFAOYSA-N 10864 4-Amino-3-bromobenzenesulfonamide::4-amino-3-bromobenzene-1-sulfonamide::CHEMBL6724::aromatic/heteroaromatic sulfonamide 9::halogenosulfanilamide deriv. 5d Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 186 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10864&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3526523 46511436 CHEMBL6724 ZINC12522340 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53374 Nc1ccc(cc1I)S(N)(=O)=O InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11) HCODCRHNVCTCTR-UHFFFAOYSA-N 10865 4-Amino-3-iodobenzenesulfonamide::4-amino-3-iodobenzene-1-sulfonamide::CHEMBL268177::aromatic/heteroaromatic sulfonamide 10::halogenosulfanilamide deriv. 5e Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7710 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10865&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 9861037 46511437 CHEMBL268177 ZINC13442499 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53375 Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17) KRVABEGPNKGLOT-UHFFFAOYSA-N 10866 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide::CHEMBL418::aromatic/heteroaromatic sulfonamide 11 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8100 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10866&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search I7C 2POW 69561 46511438 CHEMBL418 ZINC01676919 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53376 Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14) IHJCXVZDYSXXFT-UHFFFAOYSA-N 10867 4-amino-6-chlorobenzene-1,3-disulfonamide::CHEMBL266240::aromatic/heteroaromatic sulfonamide 12 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1720 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10867&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search I7B 7NML,2POV,3L14 67136 46511439 CHEMBL266240 C07460 ZINC01530783 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53377 Nc1nnc(s1)S(N)(=O)=O InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8) VGMVBPQOACUDRU-UHFFFAOYSA-N 10868 1,3,4-Thiadiazole-2-sulfonamide, 6::1,3,4-thiadiazole-2-sulfonamide 15::5-Amino-1,3,4-thiadiazole-2-sulphonamide (1)::5-amino-1,3,4-thiadiazole-2-sulfonamide::CHEMBL265674::aromatic/heteroaromatic sulfonamide 13 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 11540 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10868&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 1SA 2HNC,5TUO 84724 46509349 CHEMBL265674 ZINC16969869 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53378 Cn1nc(sc1=N)S(N)(=O)=O InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9) BWSMJWLWXNCHHP-UHFFFAOYSA-N 10869 5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide::CHEMBL6753::aromatic/heteroaromatic sulfonamide 14 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 12650 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10869&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 5172475 46511440 CHEMBL6753 ZINC05423825 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53379 Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) BDLSLORLEPSOGW-UHFFFAOYSA-N 10870 2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfonamide::Aminobenzolamide 12::CHEMBL268439::aminobenzolamide 17a::aminobenzolamide deriv. 43::aromatic/heteroaromatic sulfonamide 15 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 905 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10870&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 134560 46511441 CHEMBL268439 ZINC05579307 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53380 Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18) HHCXOFYGBAPOJR-UHFFFAOYSA-N 10871 4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide::CHEMBL266026::aromatic/heteroaromatic sulfonamide 16 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 612 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10871&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4422372 46511442 CHEMBL266026 ZINC06392199 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53381 Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19) WODATDPNMUWSHD-UHFFFAOYSA-N 10872 4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide::CHEMBL7146::aromatic/heteroaromatic sulfonamide 17 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 853 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10872&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 9998322 46511443 CHEMBL7146 ZINC13488273 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53382 Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1 InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15) QOAXQANKSMHFKJ-UHFFFAOYSA-N 10873 4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonamide::CHEMBL6633::US9616064, Compound 1aa::aromatic/heteroaromatic sulfonamide 18 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 750 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10873&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 31036 46511444 CHEMBL6633 ZINC00056465 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53383 NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14) PZVGOWIIHCUHAO-UHFFFAOYSA-N 10875 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide::CHEMBL360356::Chlorzolamide, CHL::JMC522226 Compound 19::JMC523116 Compound 19::aromatic/heteroaromatic sulfonamide 20 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7480 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10875&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search D9Z 4K0T,3D9Z,3DCC 165323 46511446 CHEMBL360356 DB07632 ZINC06095534 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53384 NS(=O)(=O)c1ccc(CO)cc1 InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11) UULCVOIRJRJPQS-UHFFFAOYSA-N 10876 4-(hydroxymethyl)benzene-1-sulfonamide::CHEMBL6919::JMC522226 Compound 20::JMC523116 Compound 20::aromatic/heteroaromatic sulfonamide 21 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9560 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10876&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 10081162 46511447 CHEMBL6919 ZINC13442503 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53385 NS(=O)(=O)c1ccc(CCO)cc1 InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12) RYKHXKKLCRPAJP-UHFFFAOYSA-N 10877 4-(2-hydroxyethyl)benzene-1-sulfonamide::CHEMBL6784::JMC522226 Compound 21::JMC523116 Compound 21::aromatic/heteroaromatic sulfonamide 22 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5510 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10877&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search S2O 6RG5,4YYT 10375558 46511448 CHEMBL6784 ZINC13442505 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53386 NS(=O)(=O)c1ccc(cc1)C(O)=O InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) UCAGLBKTLXCODC-UHFFFAOYSA-N 4703 4-carboxybenzenesulfonamide 1::4-sulfamoylbenzoic acid::Benzoic Acid deriv. 31::CHEMBL414::JMC522226 Compound 22::JMC523116 Compound 22::JMC52646 Compound 23::aromatic/heteroaromatic sulfonamide 23 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8210 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4703&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4SO 6RFH,3R4G,5RSM 8739 8034358 CHEMBL414 ZINC00001099 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53387 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 481 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53388 CC(=O)N=c1sc(nn1C)S(N)(=O)=O InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) FLOSMHQXBMRNHR-UHFFFAOYSA-N 10881 CHEMBL288100::MZA3::Methazolamide::Methazolamide (MZA)::Methazolamide, MZA::N-[(2Z)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]acetamide::Sulfonamide, 2::cid_4100::sulfonamide 2 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 781 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10881&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search MZM 4K0Z,4YHA,5KU6,1BZM,5C8I,3DAZ,3DCS 4100 46511451 CHEMBL288100 6828 ZINC12503151 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53389 CCOc1ccc2nc(sc2c1)S(N)(=O)=O InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) OUZWUKMCLIBBOG-UHFFFAOYSA-N 10882 6-ethoxy-1,3-benzothiazole-2-sulfonamide::CHEMBL18::Ethamide::Ethoxazolamide::Ethoxzolamide::Ethoxzolamide (EZA)::Ethoxzolamide, EZM::Sulfonamide, 3::US10172837, Ethoxyzolamide::sulfonamide 3 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1030 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10882&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search EZL 3DD0,5JN9,3CAJ,3MDZ,6BCC,3DCW,6QL2,5TT3,6MWI 3295 46511452 101096 CHEMBL18 DB00311 6814 ZINC00056721 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53390 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) GJQPMPFPNINLKP-UHFFFAOYSA-N 10883 4,5-dichlorobenzene-1,3-disulfonamide::CHEMBL17::Dichlorophenamide::Dichlorophenamide (DCP)::Dichlorophenamide, DCP::Sulfonamide, 4::US10172837, Dichlorphenamide::sulfonamide 4 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 872 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10883&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search I7A 2POU 3038 46511453 101085 CHEMBL17 DB01144 6807 C07459 ZINC00896918 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53391 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 IAVUPMFITXYVAF-XPUUQOCRSA-N 10884 (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide::Dorzolamide (DRZ)::Dorzolamide (DZA) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 744 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10884&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ETS 4M2W,4M2U,4K13,3FW3,6BC9,1CIL 5284549 46511454 4702 DB00869 6810 C06969 ZINC01530621 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53392 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 HCRKCZRJWPKOAR-JTQLQIEISA-N 10885 (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::(R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-E)-1,2-thiazine-6-sulfonamide 1,1-dioxide::AL-4862::Azopt::Brinzolamide (BRZ)::brinzolamide Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 839 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10885&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search BZ1 3ZNC,4M2V,4M2R,6BBS 68844 46511455 3176 DB01194 6797 C07760 ZINC03953037 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53393 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14) PWDGTQXZLNDOKS-UHFFFAOYSA-N 10886 2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide::BZA1::Benzolamide::Benzolamide (BZA)::CHEMBL73962 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 810 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10886&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3DB 3D8W,3DBU 18794 46511456 CHEMBL73962 DB07050 6920 ZINC04194731 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53394 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 KJADKKWYZYXHBB-XBWDGYHZSA-N 10887 Sulfamate 7::Topiramate (TPM)::US11535599, Example topiramate::[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 612 8.3 20.00 C Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10887&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search TOR 3LXE,3HKU,5JNA 5284627 46511457 63631 DB00273 6849 C07502 ZINC01530804 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53395 COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20) QCKAYJICSQJJCU-UHFFFAOYSA-N 10889 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide::Sulmepride::Sulpiride (SLP) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 2300 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10889&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3018598 46511459 ZINC04214355 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53396 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) SETFNECMODOHTO-UHFFFAOYSA-N 10890 1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide::CHEMBL77517::Compound 6::E7070::Indisulam (IND)::Sulfonamide, 7 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 97 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10890&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search EF6 6UD7,6SJ7,6Q0W 216468 46511460 CHEMBL77517 7046 ZINC00600748 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53397 NS(=O)(=O)Cc1noc2ccccc12 InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) UBQNRHZMVUUOMG-UHFFFAOYSA-N 10888 1,2-benzoxazol-3-ylmethanesulfonamide::CHEMBL750::SPR_2::US10172837, Zonisamide::Zonisamide::Zonisamide (ZNA)::Zonisamide (ZNS)::Zonisamide, 1::Zonisamide, ZNS Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 28680 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10888&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ZON 3PO7 5734 46511458 10127 CHEMBL750 DB00909 7047 C07504 ZINC00004321 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53398 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) RZEKVGVHFLEQIL-UHFFFAOYSA-N 11639 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide::CHEMBL118::CLX::Celebrex::Celecoxib::US10322118, Urea-Based Scaffold Entry 9::US11478464, Compound Celecoxib::US8741944, Comparative Compound::US9388139, Celecoxib::cid_2662 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10350 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11639&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search CEL 3LN1,3KK6,5JW1,7ZEJ,4FIM,1OQ5 2662 46512162 41423 CHEMBL118 DB00482 2892 C07589 ZINC02570895 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53399 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYSA-N 13063 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide::Bextra::CHEMBL865::VLX::Valdecoxib::cid_119607 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 12970 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13063&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search COX 2AW1 119607 46513481 63634 CHEMBL865 DB00580 2894 ZINC00006694 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53400 NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) HMHVCUVYZFYAJI-UHFFFAOYSA-N 26999 4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonamide::CHEMBL328560::Contravul::Ospolot::Sulthiame (SLT)::Sulthiame, 2 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5160 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26999&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search OSP 2Q1Q 5356 57298709 CHEMBL328560 DB08329 ZINC00002119 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 53401 O=C1NS(=O)(=O)c2ccccc12 InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N 29278 CHEMBL310671::Garantose::SAC::Saccharimide::Saccharin Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7960 Curated from the literature by BindingDB 10.1021/jm9000488 10.7270/Q24Q7SBR 19317447 aid1798985 Minakuchi, T; Nishimori, I; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29278&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search LSA 2Q38,7WJV,5RSP,4RIV,6FJJ,4N1O,3SRK,2Q1B 5143 81054707 32111 CHEMBL310671 5432 C12283 ZINC02560357 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417422 Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C8H8ClN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16) CYGCWJCVIJAEOL-UHFFFAOYSA-N 11622 β-CA inhibitor, 1::2-N-(4-amino-3-chlorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide::5-(4-Amino-3-chlorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide::aminobenzolamide 17c Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 2.9e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11622&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 10959593 46512145 ZINC13520184 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417423 Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) KHBWKBINDOFBGN-UHFFFAOYSA-N 11626 β-CA inhibitor, 2::2-N-(4-amino-3-bromo-5-fluorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide::5-{[(4-amino-3-bromo-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide::aminobenzolamide 19 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1.4e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11626&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11026415 46512149 ZINC13520201 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417424 Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) YMECUEKBIBTNRW-UHFFFAOYSA-N 11627 β-CA inhibitor, 3::2-N-(4-amino-3-fluoro-5-iodobenzene)-1,3,4-thiadiazole-2,5-disulfonamide::5-{[(4-amino-3-fluoro-5-iodophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide::aminobenzolamide 20 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1.2e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11627&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 10983658 46512150 ZINC13520205 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417425 Nc1c(F)cc(cc1Cl)S(N)(=O)=O InChI=1S/C6H6ClFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) XFMRTCFRRBAJHW-UHFFFAOYSA-N 11605 β-CA inhibitor, 4::4-Amino-5-chloro-3-fluorobenzenesulfonamide::4-amino-3-chloro-5-fluorobenzene-1-sulfonamide::halogenosulfanilamide deriv. 6 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1.17e+3 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11605&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 10878827 46512130 ZINC13520141 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417426 Nc1c(F)cc(cc1Br)S(N)(=O)=O InChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) GKYQTYGVQVABPW-UHFFFAOYSA-N 11606 β-CA inhibitor, 5::4-Amino-5-bromo-3-fluorobenzenesulfonamide::4-amino-3-bromo-5-fluorobenzene-1-sulfonamide::halogenosulfanilamide deriv. 7 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9.4e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11606&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 10869299 46512131 ZINC13520143 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417427 Nc1c(F)cc(cc1I)S(N)(=O)=O InChI=1S/C6H6FIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) KDXNVSMWRXCNMY-UHFFFAOYSA-N 11607 β-CA inhibitor, 6::4-Amino-3-fluoro-5-iodobenzenesulfonamide::4-amino-3-fluoro-5-iodobenzene-1-sulfonamide::CHEMBL69813::halogenosulfanilamide deriv. 8 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1.22e+3 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11607&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 10903168 46512132 CHEMBL69813 ZINC13520146 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417428 Nc1c(Cl)cc(cc1Cl)S(N)(=O)=O InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) DVZMRTJKNJKEGV-UHFFFAOYSA-N 11608 β-CA inhibitor, 7::4-Amino-3,5-dichlorobenzenesulfonamide::4-amino-3,5-dichlorobenzene-1-sulfonamide::halogenosulfanilamide deriv. 9 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1.26e+3 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11608&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search SDA 1ZGE 89607 46512133 ZINC01255236 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417429 Nc1c(Cl)cc(cc1Br)S(N)(=O)=O InChI=1S/C6H6BrClN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) YJUGISJKPREUNY-UHFFFAOYSA-N 11609 β-CA inhibitor, 8::4-Amino-5-bromo-3-chlorobenzenesulfonamide::4-amino-3-bromo-5-chlorobenzene-1-sulfonamide::halogenosulfanilamide deriv. 10 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5.8e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11609&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11011569 46512134 ZINC13520149 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417430 Nc1c(Cl)cc(cc1I)S(N)(=O)=O InChI=1S/C6H6ClIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) XMYFNJCFYZLWBO-UHFFFAOYSA-N 11610 β-CA inhibitor, 9::4-Amino-3-chloro-5-iodobenzenesulfonamide::4-amino-3-chloro-5-iodobenzene-1-sulfonamide::halogenosulfanilamide deriv. 11 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1.27e+3 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11610&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11823783 46512135 ZINC13520152 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417431 Nc1c(Br)cc(cc1Br)S(N)(=O)=O InChI=1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12) DLXJPWSYRLLYSV-UHFFFAOYSA-N 11611 β-CA inhibitor, 10::4-Amino-3,5-dibromobenzenesulfonamide::4-amino-3,5-dibromobenzene-1-sulfonamide::CHEMBL306195::halogenosulfanilamide deriv. 12 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4.1e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11611&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3084733 46512136 CHEMBL306195 ZINC02146706 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417432 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14) PWDGTQXZLNDOKS-UHFFFAOYSA-N 10886 2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide::BZA1::Benzolamide::Benzolamide (BZA)::CHEMBL73962 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8.1e+2 8.3 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.645539 10.7270/Q28C9V4F 22214209 aid1803214 Maresca, A; Scozzafava, A; Vullo, D; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10886&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3DB 3D8W,3DBU 18794 46511456 CHEMBL73962 DB07050 6920 ZINC04194731 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417577 OC(=O)c1ccc(Br)cc1 InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) TUXYZHVUPGXXQG-UHFFFAOYSA-N 239163 4-Bromobenzoic acid (1) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 3.91e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239163&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search Z82 3T6I,3LBW,3Q3M 11464 340132451 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417578 OC(=O)c1ccc(I)cc1 InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) GHICCUXQJBDNRN-UHFFFAOYSA-N 50405325 4-Iodobenzoic acid (2)::CHEMBL101265 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4.94e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405325&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search KZ6 7TZM 12085 163354349 CHEMBL101265 ZINC00167246 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417579 OC(=O)c1ccc(cc1)C#N InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) ADCUEPOHPCPMCE-UHFFFAOYSA-N 239164 4-Cyanobenzoic acid (3) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6.20e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239164&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 12087 340132452 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417580 CC(=O)Nc1ccc(cc1)C(O)=O InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) QCXJEYYXVJIFCE-UHFFFAOYSA-N 239165 4-Acetamidobenzoic acid (4) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4.76e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239165&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search TYZ 5RSO,2BNI,1W5K,1W5J,5PBD,3W93,3W92,5CUG,3W8V 19266 340132453 DB04500 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417581 OC(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10) OTLNPYWUJOZPPA-UHFFFAOYSA-N 50405310 4-Nitrobenzoic acid (5)::CHEMBL101263 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5.87e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50405310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50405310&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4NB 5N3J,3CHT,5J8G,7PGB 6108 163354334 262350 CHEMBL101263 C18625 ZINC01688307 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417582 OC(=O)C1CCCNC1 InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9) XJLSEXAGTJCILF-UHFFFAOYSA-N 50003624 (RS)-nipecotic acid::CHEMBL277498::Nipecotic::Piperidine-3-carboxylic acid::Piperidine-3-carboxylic acid (6)::Piperidine-3-carboxylic acid(nipecotic acid) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4.89e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003624&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ID7 7Y7Y 4498 103917587 116931 CHEMBL277498 4564 ZINC03861497 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417583 OC(=O)\C=C\c1ccccc1O InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ PMOWTIHVNWZYFI-AATRIKPKSA-N 50146462 (2E)-3-(2-hydroxyphenyl)-2-propenoic acid::(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid::(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid (7)::(E)-2-hydroxycinnamic acid::(E)-3-(2-hydroxyphenyl)-2-propenoic acid::(E)-o-hydroxycinnamic acid::CHEMBL52564::o-Hydroxycinnamic acid (o-HCA)::o-hydroxy-trans-cinnamic acid::trans-2-coumaric acid::trans-o-hydroxycinnamic acid Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 2.25e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146462&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 2HC 1V5Z,5BNL 637540 104035051 18176 CHEMBL52564 DB01650 C01772 ZINC00895911 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417584 OC(=O)\C=C\c1ccc(O)cc1 InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ NGSWKAQJJWESNS-ZZXKWVIFSA-N 4374 (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid::(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (8)::CHEMBL66879::p-Coumaric Acid::p-Hydroxycinnamic acid (p-HCA)::p-hydroxycinnamic acid::p-hydroxycinnamic acid (M4) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 3.03e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4374&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search HC4 3PHY,5J0A,2O7B,2O7F,2J3J,1GSX,1GSW,1GSV,4I3J,5MOV,3UME,3UMD,6UN2,3VE4,3VE3,1TS6,1TS7,1TS0,1TS8,1F98,1F9I,2QJ5,2QJ7,1OTD,1OTE,1OTB,8DZX,8DZY,8DZU,5GX9,1T18,1T19,1T1A,1T1B,1T1C,4F8J,1S4R,1S4S,2PYP,6MMD,4EYO,2I9V,3UBA,6UMY,6VZK,5VFM,5Y8T,1XFQ,1XFN,1NWZ,4I3A,2PHY,2KX6,8E1L,4WL9,1OTI,3A5R,3PYP,1S1Z,1S1Y,1OTA,1OT6,1OT9,2D01,4QEM,4HY8,1UWN,1D7E,8E03,8E02,8E09,1ODV,1UWP,6MKT,4BBT,4BBU,4BBV,1UGU,4RGR,6TC2,7NR2,8E1K,2D02,7SJJ,2PYR,4WLA,4B9O,2QWS,7NSW,7SPV,7SPW,7SPX,4I38,4I39,4I3I,1MZU,4ALB,2ZOI,2ZOH,5X13 637542 8034050 36090 CHEMBL66879 DB04066 5787 C00811 ZINC00039811 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417585 OC(=O)\C=C\c1ccc(O)c(O)c1 InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N 4375 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid::(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9)::3,4-Dihydroxycinnamate, XVII::CHEMBL145::Caffeic acid::Caffeic acid, 1::cid_689043 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5.92e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4375&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search DHC 3HOF,2O7D,4FB4,1KOU,6YRI,4YU7,6AWU,4EYQ,5VFJ,6I72,7NRR,3S2Z,4N0S 689043 8034051 16433 CHEMBL145 DB01880 5155 C01197 ZINC00058172 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417586 COc1cc(\C=C\C(O)=O)ccc1O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N 50214744 (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid::(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (10)::CHEMBL32749::Ferulic acid (M5)::ferulic acid Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7.13e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214744&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search FER 3NX2,1GKL,4PME,6G21,7ATJ,3PFC,2BNJ,1JT2,6YUX,1GW2,1GWT,6ATJ,7Z2U,1KYZ,7NTD,1UWC,3CBG,2BJH,5CXX,4RGU,4JB0,2WTN,6HOV,6HOQ,6HOP,6MBY,5X14 445858 104089679 17620 CHEMBL32749 DB07767 C01494 ZINC00058258 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 417587 Nc1ccc(cc1)S(N)(=O)=O InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N 10857 4-aminobenzene-1-sulfonamide::CHEMBL21::Sulfanilamide::aromatic sulfonamide compound 5::aromatic/heteroaromatic sulfonamide 2::halogenosulfanilamide deriv. 5a Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9.84e+3 7.5 25.00 C Curated from the literature by BindingDB 10.3109/14756366.2011.650168 10.7270/Q2RF5SZW 22299588 aid1803218 Maresca, A; Vullo, D; Scozzafava, A; Manole, G; Supuran, CT Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10857&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search SAN 8BCB,1AJ0,4F93,4F92,4COQ,6RL9 5333 46511429 45373 CHEMBL21 DB00259 C07458 ZINC00002101 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50459979 NC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O InChI=1S/C15H13N3O3S/c16-15(19)14-13(9-4-2-1-3-5-9)11-8-10(22(17,20)21)6-7-12(11)18-14/h1-8,18H,(H2,16,19)(H2,17,20,21) QMGMALTZHHCWGS-UHFFFAOYSA-N 50258792 3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide::CHEMBL512633 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7.5 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258792&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44574267 104109388 CHEMBL512633 ZINC40395338 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50459982 Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1 InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15) QOAXQANKSMHFKJ-UHFFFAOYSA-N 10873 4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonamide::CHEMBL6633::US9616064, Compound 1aa::aromatic/heteroaromatic sulfonamide 18 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 109 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10873&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 31036 46511444 CHEMBL6633 ZINC00056465 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50459986 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 250 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50459990 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20) SETFNECMODOHTO-UHFFFAOYSA-N 10890 1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide::CHEMBL77517::Compound 6::E7070::Indisulam (IND)::Sulfonamide, 7 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 31 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10890&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search EF6 6UD7,6SJ7,6Q0W 216468 46511460 CHEMBL77517 7046 ZINC00600748 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50459993 Nc1ccc(cc1Br)S(N)(=O)=O InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11) KQEVQYJWCZRLTJ-UHFFFAOYSA-N 10864 4-Amino-3-bromobenzenesulfonamide::4-amino-3-bromobenzene-1-sulfonamide::CHEMBL6724::aromatic/heteroaromatic sulfonamide 9::halogenosulfanilamide deriv. 5d Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6500 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10864&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3526523 46511436 CHEMBL6724 ZINC12522340 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50459997 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1 NGOHYVFQZPROBG-UHFFFAOYSA-O 50258299 1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::2,4,6-trimethyl-1-(3-(perfluorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)pyridinium perchlorate::CHEMBL501294 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9.7 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258299&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186208 104109039 CHEMBL501294 ZINC42805911 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460001 COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C InChI=1S/C24H24N4O4S/c1-14-10-15(2)28(16(3)11-14)27-24(29)23-22(17-6-5-7-18(12-17)32-4)20-13-19(33(25,30)31)8-9-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 UYUBFBWOFKSJPT-UHFFFAOYSA-O 50258298 1-(3-(3-methoxyphenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(3-methoxyphenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL521690 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8.6 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258298&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186206 104109038 CHEMBL521690 ZINC40957059 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460005 Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C InChI=1S/C24H24N4O3S/c1-14-5-7-18(8-6-14)22-20-13-19(32(25,30)31)9-10-21(20)26-23(22)24(29)27-28-16(3)11-15(2)12-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 WOAYEAZNVGHCDU-UHFFFAOYSA-O 50258716 1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::2,4,6-trimethyl-1-(5-sulfamoyl-3-p-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate::CHEMBL468946 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5.1 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258716&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186272 104109335 CHEMBL468946 ZINC40394839 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460009 Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 VDGJMVWFIKQWDZ-UHFFFAOYSA-O 50258715 1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::2,4,6-trimethyl-1-(5-sulfamoyl-3-m-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate::CHEMBL468945 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 110 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258715&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186204 104109334 CHEMBL468945 ZINC40893158 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460013 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1 InChI=1S/C24H24N4O3S/c1-14-11-16(3)28(17(4)12-14)27-24(29)23-22(19-8-6-5-7-15(19)2)20-13-18(32(25,30)31)9-10-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 DFOLGWDCROPMCI-UHFFFAOYSA-O 50258714 1-({[5-(Aminosulfonyl)-3-(2-bromophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::2,4,6-trimethyl-1-(5-sulfamoyl-3-o-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate::CHEMBL466234 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10.5 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258714&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186270 104109333 CHEMBL466234 ZINC40880234 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460017 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Br)cc2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 QAOAUSPEVNTMIF-UHFFFAOYSA-O 50258681 1-(3-(4-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(4-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL511239 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 12.3 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258681&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186202 104109305 CHEMBL511239 ZINC40878843 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460021 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 FABVMONGQZFVFR-UHFFFAOYSA-O 50258680 1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(3-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL467898 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 30.8 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258680&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186268 104109304 CHEMBL467898 ZINC40878840 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460025 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Br)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 IGMUAHQVBFCVQW-UHFFFAOYSA-O 50258679 1-(3-(2-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(2-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL467897 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 43.4 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258679&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186139 104109303 CHEMBL467897 ZINC40401823 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460029 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 OLTPRSGJHXAYBO-UHFFFAOYSA-O 50258678 1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(4-fluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL513854 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 3.2 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258678&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186266 104109302 CHEMBL513854 ZINC40875054 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460033 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Cl)c2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21ClN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 UVMOSTGNAOREDN-UHFFFAOYSA-O 50258637 1-(3-(3-chlorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(3-fluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL467258 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 113 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258637&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186137 104109263 CHEMBL467258 ZINC40875463 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460037 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Cl)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 TXDBKBXULDSLMV-UHFFFAOYSA-O 50258636 1-(3-(2-chlorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(2-fluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL513835 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 25.1 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258636&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186135 104109262 CHEMBL513835 ZINC40394302 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460041 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(F)cc2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 YTUPVOSKWNUXRI-UHFFFAOYSA-O 50258635 1-(3-(4-fluorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(4-methylphenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL468294 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7.6 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258635&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186264 104109261 CHEMBL468294 ZINC40880592 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460045 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(F)c2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21FN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 MVLSXWFLBKVSDR-UHFFFAOYSA-O 50258634 1-(3-(3-fluorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(3-methylphenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL468094 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 11.3 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258634&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186133 104109260 CHEMBL468094 ZINC40875035 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460049 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2F)S(N)(=O)=O)c(C)c1 InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 IOCQUYQFGCLDTM-UHFFFAOYSA-O 50258588 1-(3-(2-fluorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(2-methylphenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL469126 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8.5 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258588&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186210 104109225 CHEMBL469126 ZINC40395672 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50460053 Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)S(N)(=O)=O)c(C)c1 InChI=1S/C23H22N4O3S/c1-14-11-15(2)27(16(3)12-14)26-23(28)22-21(17-7-5-4-6-8-17)19-13-18(31(24,29)30)9-10-20(19)25-22/h4-13H,1-3H3,(H3-,24,25,26,28,29,30)/p+1 VPIJHUWPYNNVSD-UHFFFAOYSA-O 50258587 1-(([5-(Aminosulfonyl)-3-phenyl-1H-indol-2-yl]carbonyl)amino)-2,4,6-trimethylpyridinium Perchlorate::2,4,6-trimethyl-1-(3-phenyl-5-sulfamoyl-1H-indole-2-carboxamido)pyridinium perchlorate::CHEMBL466832 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9 ChEMBL 10.1021/jm9004016 10.7270/Q2736QTJ 19438226 Guzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Istanbul University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258587&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44186131 104109224 CHEMBL466832 ZINC40879794 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616951 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3CCCc3c2)cc1 InChI=1S/C16H17N3O3S/c17-23(21,22)15-8-6-13(7-9-15)18-16(20)19-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,17,21,22)(H2,18,19,20) NRHYNEFJUMPQKN-UHFFFAOYSA-N 50334342 4-(3-(2,3-dihydro-1H-inden-5-yl)ureido)benzenesulfonamide::4-{[(2,3-dihydro-1H-inden-5-ylamino]carbonylamino)}benzenesulfonamide::CHEMBL1643307 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 486 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334342&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 17249579 125084444 CHEMBL1643307 ZINC12914717 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616952 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 481 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616957 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19) JRBZWDBVXZBLDZ-UHFFFAOYSA-N 50334345 4-(3-(4-cyanophenyl)ureido)benzenesulfonamide::4-{[(4'-Cyanophenyl)carbamoyl]amino}benzenesulfonamide::CHEMBL1643300 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 50 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334345&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 51355750 125084447 CHEMBL1643300 ZINC66251488 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616958 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1 InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19) HOUIRAFTHIMUSN-UHFFFAOYSA-N 50334346 4-(3-(2-cyanophenyl)ureido)benzenesulfonamide::4-{([(2'-Cyanophenyl)amino]carbonyl)amino}benzenesulfonamide::CA IX inhibitor, (C)3::CHEMBL1643301 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 534 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334346&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 2476733 125084448 CHEMBL1643301 ZINC03359263 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616959 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23) CRQQPSLXCGIHPH-UHFFFAOYSA-N 50334347 4-(3-(4-phenoxyphenyl)ureido)benzenesulfonamide::4-({[(4'-Phenoxyphenyl)amino]carbonyl}amino)benzenesulfonamide::CHEMBL1643302 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 560 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334347&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 27868059 125084449 CHEMBL1643302 ZINC18172507 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616960 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1 InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23) LRMYTINNXLFYRJ-UHFFFAOYSA-N 50334348 4-(3-biphenyl-2-ylureido)benzenesulfonamide::4-[(Biphenyl-2'-ylcarbamoyl)amino]benzenesulfonamide::CHEMBL1643303 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5590 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334348&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 51356010 125084450 CHEMBL1643303 ZINC66156944 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616961 NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1 InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18) MTGVDZIMBQRGPD-UHFFFAOYSA-N 50334349 4-(3-(3-nitrophenyl)ureido)benzenesulfonamide::4-{[(3'-Nitrophenyl)carbamoyl]amino}benzenesulfonamide::4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide::CA IX inhibitor, (C)1::CHEMBL1614844 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 67 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334349&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AYX 3N2P,5JMZ 50909907 125084451 CHEMBL1614844 ZINC64746413 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616965 Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1 InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19) SPEYBQKWONGMOH-UHFFFAOYSA-N 50334353 4-(3-(3,5-dimethylphenyl)ureido)benzenesulfonamide::4-{([(3,5-dimethylphenyl)amino]carbonylamino)}benzenesulfonamide::CHEMBL1643306 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 315 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334353&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 6LU 6UZU,5JN7 27868075 125084455 CHEMBL1643306 ZINC18172548 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616995 Nc1ccc(cc1)S(N)(=O)=O InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N 10857 4-aminobenzene-1-sulfonamide::CHEMBL21::Sulfanilamide::aromatic sulfonamide compound 5::aromatic/heteroaromatic sulfonamide 2::halogenosulfanilamide deriv. 5a Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9230 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10857&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search SAN 8BCB,1AJ0,4F93,4F92,4COQ,6RL9 5333 46511429 45373 CHEMBL21 DB00259 C07458 ZINC00002101 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616996 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17) XCGMCYYUHKUQTO-UHFFFAOYSA-N 16654 1-phenyl-3-(4-sulfamoylphenyl)urea::aromatic sulfonamide compound 19 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 356 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16654&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 306924 46516883 ZINC00154151 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616997 NS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 InChI=1S/C14H15N3O3S/c15-21(19,20)13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18) ISUQWNITGXDZNG-UHFFFAOYSA-N 50334343 4-(3-benzylureido)benzenesulfonamide::4-{[(Benzylamino)carbonyl]amino}benzenesulfonamide::CHEMBL1643289 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 440 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334343&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 20694083 125084445 CHEMBL1643289 ZINC18177171 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616998 NS(=O)(=O)c1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1 InChI=1S/C20H19N3O3S/c21-27(25,26)18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24) ALCSZUCTAIXDEP-UHFFFAOYSA-N 50334344 4-(3-benzhydrylureido)benzenesulfonamide::4-{[(Benzhydrylamino)carbonyl]amino}benzenesulfonamide::CHEMBL1643290 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4330 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334344&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 27869350 125084446 CHEMBL1643290 ZINC18175149 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616999 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18) YJQZNWPYLCNRLP-UHFFFAOYSA-N 50334354 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide::4-{[(4'-Fluorophenyl)carbamoyl]amino}benzenesulfonamide::4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide::CHEMBL1615281 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6.4 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334354&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search WWZ 3N4B,7NWY,5JN3 310360 125084456 CHEMBL1615281 ZINC01752601 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617000 CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O InChI=1S/C18H22O5/c1-3-5-6-7-8-12-9-13-10-14(17(20)22-4-2)18(21)23-16(13)11-15(12)19/h9-11,19H,3-8H2,1-2H3 YXRPKEAKGALMDS-UHFFFAOYSA-N 54376 6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester::6-hexyl-7-hydroxy-2-keto-chromene-3-carboxylic acid ethyl ester::6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester::MLS000777587::SMR000413981::cid_5545047::ethyl 6-hexyl-7-hydroxy-2-oxochromene-3-carboxylate::ethyl 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4.8 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=54376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=54376&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 5545047 252634406 ZINC00143531 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617001 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18) DXQKMYKLTXOZRT-UHFFFAOYSA-N 50334355 4-(3-(4-bromophenyl)ureido)benzenesulfonamide::4-({[(4'-Bromophenyl)amino]carbonyl}amino)benzenesulfonamide::CHEMBL1643291 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7.5 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334355&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 27869982 125084457 CHEMBL1643291 ZINC18176738 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617002 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1 InChI=1S/C13H12IN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18) CJIPQHVFRDXPJZ-UHFFFAOYSA-N 50334356 4-(3-(4-iodophenyl)ureido)benzenesulfonamide::4-{[(4'-Iodophenyl)carbamoyl]amino}benzenesulfonamide::CHEMBL1643292 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6.8 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334356&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 27870055 125084458 CHEMBL1643292 ZINC18176918 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617003 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21) PTTQRLLAHZHAEV-UHFFFAOYSA-N 50334357 4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide::4-{[([4-(Trifluoromethyl)phenyl]amino}carbonyl)amino]benzenesulfonamide::CHEMBL1337519 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 69 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334357&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 2813478 125084459 CHEMBL1337519 ZINC01033551 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617004 NS(=O)(=O)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 InChI=1S/C15H11F6N3O3S/c16-14(17,18)8-5-9(15(19,20)21)7-11(6-8)24-13(25)23-10-1-3-12(4-2-10)28(22,26)27/h1-7H,(H2,22,26,27)(H2,23,24,25) ZMDKHQWLSPTWTD-UHFFFAOYSA-N 50334358 4-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzenesulfonamide::4-{[([3,5-Bis(trifluoromethyl)phenyl]aminocarbonyl)amino]}benzenesulfonamide::CHEMBL1643293 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 66 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334358&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 27870803 125084460 CHEMBL1643293 ZINC18178984 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617005 NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22) IOSBUNBTXXXMFG-UHFFFAOYSA-N 50146756 4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide::CHEMBL316779 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50146756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50146756&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search P9B 3N0N 11245996 104035345 CHEMBL316779 ZINC03960038 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617006 COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) WXDHZIGHLOGJRK-UHFFFAOYSA-N 50334359 4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide::4-{[(2'-Methoxyphenyl)amino]carbonyl)}aminobenzenesulfonamide::CHEMBL1643294 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 473 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334359&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 307522 125084461 CHEMBL1643294 ZINC01741507 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617007 CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20) QDFITLNSSXUDGW-UHFFFAOYSA-N 50334360 4-(3-(4-acetylphenyl)ureido)benzenesulfonamide::4-{([(4'-Acetylphenyl)amino]carbonyl)amino}benzenesulfonamide::CA IX inhibitor, (C)2::CHEMBL1643295 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 470 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334360&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 27870796 125084462 CHEMBL1643295 ZINC18178960 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617008 CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20) NCAVVYYIUQIEED-UHFFFAOYSA-N 50334361 4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide::4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide::4-{([(2'-Isopropylphenyl)amino]carbonyl)amino}benzenesulfonamide::CHEMBL1615280 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5610 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334361&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search WWV 3N3J 50909908 125084463 CHEMBL1615280 ZINC64744289 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617009 CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 InChI=1S/C16H19N3O3S/c1-11(2)12-3-5-13(6-4-12)18-16(20)19-14-7-9-15(10-8-14)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20) LQPSERXJEQNKFO-UHFFFAOYSA-N 50334362 4-(3-(4-isopropylphenyl)ureido)benzenesulfonamide::4-{([(4'-Isopropylphenyl)amino]carbonyl)amino}benzenesulfonamide::CHEMBL1643296 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 5690 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334362&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 17268490 125084464 CHEMBL1643296 ZINC18176950 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617010 CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 InChI=1S/C17H21N3O3S/c1-2-3-4-13-5-7-14(8-6-13)19-17(21)20-15-9-11-16(12-10-15)24(18,22)23/h5-12H,2-4H2,1H3,(H2,18,22,23)(H2,19,20,21) KCFQSKKKOAPUSR-UHFFFAOYSA-N 50334363 4-(3-(4-butylphenyl)ureido)benzenesulfonamide::4-({[(4'-Butylphenyl)amino]carbonyl}amino)benzenesulfonamide::CHEMBL1643297 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 4760 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334363&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 41430216 125084465 CHEMBL1643297 ZINC10260133 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617011 CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 InChI=1S/C17H21N3O4S/c1-2-3-12-24-15-8-4-13(5-9-15)19-17(21)20-14-6-10-16(11-7-14)25(18,22)23/h4-11H,2-3,12H2,1H3,(H2,18,22,23)(H2,19,20,21) BTFPBKCBDXRECY-UHFFFAOYSA-N 50334364 4-(3-(4-butoxyphenyl)ureido)benzenesulfonamide::4-{[(4'-Butoxyphenyl)carbamoyl]amino}benzenesulfonamide::CHEMBL1643298 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 35 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334364&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 50942416 125084466 CHEMBL1643298 ZINC66252161 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50617012 CCCCCCCCc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 InChI=1S/C21H29N3O3S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)23-21(25)24-19-13-15-20(16-14-19)28(22,26)27/h9-16H,2-8H2,1H3,(H2,22,26,27)(H2,23,24,25) NOPWNPLEMMFOAT-UHFFFAOYSA-N 50334365 4-(3-(4-octylphenyl)ureido)benzenesulfonamide::4-{([(4-Octylphenyl)amino]carbonyl)amino}benzenesulfonamide::CHEMBL1643299 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6500 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334365&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 51355749 125084467 CHEMBL1643299 ZINC66252634 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616962 COc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C)c1 InChI=1S/C15H17N3O4S/c1-10-9-12(22-2)5-8-14(10)18-15(19)17-11-3-6-13(7-4-11)23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19) KIFIQTLIAHXLTD-UHFFFAOYSA-N 50334350 4-(3-(4-methoxy-2-methylphenyl)ureido)benzenesulfonamide::4-{([(4'-Methoxy-2'-methylphenyl)amino]carbonyl)amino}benzenesulfonamide::CHEMBL1643304 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 49 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334350&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 46860267 125084452 CHEMBL1643304 ZINC51355960 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616963 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1 InChI=1S/C20H17N3O3S/c21-27(25,26)17-8-5-15(6-9-17)22-20(24)23-16-7-10-19-14(12-16)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2,(H2,21,25,26)(H2,22,23,24) JLVXVGKKCQUJOC-UHFFFAOYSA-N 50334351 4-(3-9H-fluoren-2-ylureido)benzenesulfonamide::4-{[(9H-Fluoren-2-ylamino)carbonyl]amino}benzenesulfonamide::CHEMBL1643305 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 728 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334351&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 41484755 125084453 CHEMBL1643305 ZINC10407901 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50616964 NS(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1 InChI=1S/C12H17N3O3S/c13-19(17,18)11-7-5-10(6-8-11)15-12(16)14-9-3-1-2-4-9/h5-9H,1-4H2,(H2,13,17,18)(H2,14,15,16) QRZYENXYGGOPSS-UHFFFAOYSA-N 50334352 4-(3-cyclopentylureido)benzenesulfonamide::4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide::CHEMBL1615215 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 509 ChEMBL 10.1016/j.bmcl.2010.11.064 10.7270/Q2WS8TH9 21145236 Pacchiano, F; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334352&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search S6I 3MZC 27870443 125084454 CHEMBL1615215 ZINC18177805 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50642296 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 480 7.5 ChEMBL 10.1016/j.bmcl.2011.04.105 10.7270/Q2930TGN 21570835 Vullo, D; Nishimori, I; Minakuchi, T; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629156 OCCc1ccc(O)cc1 InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 YCCILVSKPBXVIP-UHFFFAOYSA-N 50339585 4-(2-Hydroxy-ethyl)-phenol::4-(2-hydroxyethyl)phenol::CHEMBL53566::p-Hydroxyphenethyl alcohol::tyrosol Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 850 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339585&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search YRL 7OFS,4P6T 10393 125089687 1879 CHEMBL53566 C06044 ZINC00164581 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629157 OC(=O)Cc1ccc(O)cc1 InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N 50339586 2-(4-hydroxyphenyl)acetic acid::4-HYDROXYPHENYLACETATE::4-Hydroxyphenylacetic acid::CHEMBL1772 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10800 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339586&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4HP 2YAJ,7NQG,7E7L,7E0X,2YYJ,2YYM,6WH8,3PCG,2JBT,1AI6,5AIP 127 125089688 18101 CHEMBL1772 C03768 ZINC00213065 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629158 NC(=O)Cc1ccc(O)cc1 InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11) YBPAYPRLUDCSEY-UHFFFAOYSA-N 50339587 2-(4-hydroxyphenyl)acetamide::4-Hydroxyphenylacetamide::CHEMBL447310::p-hydroxyphenylacetamide Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 850 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339587&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ZHZ 2HKR 86986 125089689 CHEMBL447310 ZINC00157085 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629159 OC(=O)Cc1ccc(O)c(Cl)c1 InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12) IYTUKSIOQKTZEG-UHFFFAOYSA-N 50339588 (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID::2-(3-chloro-4-hydroxyphenyl)acetic acid::3-chloro-4-hydroxyphenylacetic acid::CHEMBL592010 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10300 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339588&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3C4 2H6B,3E6B,3E6C,3E5U,3E5X 118534 125089690 CHEMBL592010 ZINC00407042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629160 NC(=O)Cc1ccc(O)c(Cl)c1 InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12) ORFVLZDPZCEXSD-UHFFFAOYSA-N 50339589 2-(3-chloro-4-hydroxyphenyl)acetamide::CHEMBL592140 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10500 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339589&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 15038375 125089691 CHEMBL592140 ZINC13386275 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629161 COC(=O)\C=C\C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(O)=O InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m1/s1 KCOKHEIACSQLBQ-ORAHPGNNSA-N 50339590 (-)-xylariamide A::(R)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid::CHEMBL463133 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 840 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339590&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11290362 125089692 CHEMBL463133 ZINC13347543 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629162 COC(=O)\C=C\C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1 KCOKHEIACSQLBQ-YEZKRMTDSA-N 50339591 (+)-xylariamide A::(S)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid::3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine::CHEMBL463134 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 710 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339591&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search PMX 3P4V 11738933 125089693 CHEMBL463134 ZINC13347539 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629163 COc1cc(C=C2N=C(N)NC2=O)ccc1O InChI=1S/C11H11N3O3/c1-17-9-5-6(2-3-8(9)15)4-7-10(16)14-11(12)13-7/h2-5,15H,1H3,(H3,12,13,14,16) CWWKTGHWIFDKSB-UHFFFAOYSA-N 50339592 2-amino-4-(4-hydroxy-3-methoxybenzylidene)-1H-imidazol-5(4H)-one::CHEMBL603189 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 11800 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339592&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11379284 125089694 CHEMBL603189 ZINC14676739 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629164 NC1=NC(=Cc2ccc(O)c(O)c2)C(=O)N1 InChI=1S/C10H9N3O3/c11-10-12-6(9(16)13-10)3-5-1-2-7(14)8(15)4-5/h1-4,14-15H,(H3,11,12,13,16) IBUXMZQNAQOLQY-UHFFFAOYSA-N 50339593 2-amino-4-(3,4-dihydroxybenzylidene)-1H-imidazol-5(4H)-one::CHEMBL591736::polyandrocarpamine B Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 910 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339593&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11172019 125089695 CHEMBL591736 ZINC14676741 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629165 COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20) BQOVQGSBHRLTFG-UHFFFAOYSA-N 50339594 2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid::CHEMBL592384 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10500 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339594&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11438030 125089696 CHEMBL592384 ZINC13335389 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629166 COc1cc(CO)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 InChI=1S/C16H12O7/c1-22-10-4-7(6-17)5-11-13(10)15(19)14-9(23-11)3-2-8(18)12(14)16(20)21/h2-5,17-18H,6H2,1H3,(H,20,21) WKVDGQDBUCFWBJ-UHFFFAOYSA-N 50339595 2-hydroxy-6-(hydroxymethyl)-8-methoxy-9-oxo-9H-xanthene-1-carboxylic acid::CHEMBL590883 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 990 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339595&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 11278507 125089697 CHEMBL590883 ZINC13328233 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629167 COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20-/m0/s1 QDBUCXMBHJMGCN-HIGYNYDNSA-N 50216277 4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol)::8-beta,8'-alpha-dimethyl-7-alpha,7'-beta-bis(3-methoxy-4-hydroxy-phenyl)cyclobutane::CHEMBL228274::endiandrin A Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 820 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216277&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16756780 104090668 CHEMBL228274 ZINC28707414 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629168 COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+ QDBUCXMBHJMGCN-JARDSOJUSA-N 50339596 4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol)::8beta,8'beta-dimethyl-7alpha,7'alpha-bis(3-methoxy-4-hydroxyphenyl)cyclobutane::CHEMBL517222::endiandrin B Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 800 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339596&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 25242508 125089698 CHEMBL517222 ZINC40412591 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629169 COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1 ADFOLUXMYYCTRR-ZIAGYGMSSA-N 50216276 (-)-dihydroguaiaretic acid::4,4'-((2R,3R)-2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol)::CHEMBL375927 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 850 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216276&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search PWK 4PWK 11602375 104090667 CHEMBL375927 ZINC01863457 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629170 Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19) DEUPTZFEFNDUTO-UHFFFAOYSA-N 50339597 CHEMBL589354::N-benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 12200 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339597&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221535 125089699 CHEMBL589354 ZINC45337880 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629171 Oc1ccc(CC(=O)NCCc2ccccc2)cc1Cl InChI=1S/C16H16ClNO2/c17-14-10-13(6-7-15(14)19)11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2,(H,18,20) RKDFOLFWZFYJCY-UHFFFAOYSA-N 50339598 2-(3-chloro-4-hydroxyphenyl)-N-phenethylacetamide::CHEMBL601464 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 800 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339598&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221580 125089700 CHEMBL601464 ZINC45368285 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629172 COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1 InChI=1S/C17H18ClNO3/c1-22-14-4-2-3-12(9-14)7-8-19-17(21)11-13-5-6-16(20)15(18)10-13/h2-6,9-10,20H,7-8,11H2,1H3,(H,19,21) SKRWBNMOZRTHTC-UHFFFAOYSA-N 50339599 2-(3-chloro-4-hydroxyphenyl)-N-(3-methoxyphenethyl)acetamide::CHEMBL589606 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1270 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339599&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221532 125089701 CHEMBL589606 ZINC45338884 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629173 COc1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1OC InChI=1S/C18H20ClNO4/c1-23-16-6-4-12(10-17(16)24-2)7-8-20-18(22)11-13-3-5-15(21)14(19)9-13/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,20,22) CNGFCLHONMXJKJ-UHFFFAOYSA-N 50339600 2-(3-chloro-4-hydroxyphenyl)-N-(3,4-dimethoxyphenethyl)acetamide::CHEMBL589604 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1780 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339600&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221533 125089702 CHEMBL589604 ZINC45338674 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629174 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1 InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23) MALIONKMKPITBV-UHFFFAOYSA-N 50339601 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide::2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide::CHEMBL606453 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 1160 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339601&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search R21 3NB5 11624852 125089703 CHEMBL606453 ZINC35950478 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629175 COCCNC(=O)Cc1ccc(O)c(Cl)c1 InChI=1S/C11H14ClNO3/c1-16-5-4-13-11(15)7-8-2-3-10(14)9(12)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,13,15) ZXYALMVKRJSFTL-UHFFFAOYSA-N 50339602 2-(3-chloro-4-hydroxyphenyl)-N-(2-methoxyethyl)acetamide::CHEMBL588491 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 11000 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339602&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221534 125089704 CHEMBL588491 ZINC45334972 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629176 CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1 InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16) FDCKZXMLRWATKY-UHFFFAOYSA-N 50339603 CHEMBL578932::N-tert-butyl-2-(3-chloro-4-hydroxyphenyl)acetamide Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 12300 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339603&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221529 125089705 CHEMBL578932 ZINC45302655 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629177 CCCCNC(=O)Cc1ccc(O)c(Cl)c1 InChI=1S/C12H16ClNO2/c1-2-3-6-14-12(16)8-9-4-5-11(15)10(13)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16) KPXFZJYPFARGRK-UHFFFAOYSA-N 50339604 CHEMBL605189::N-butyl-2-(3-chloro-4-hydroxyphenyl)acetamide Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 11600 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339604&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 16221528 125089706 CHEMBL605189 ZINC45387077 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629178 Nc1ccc(cc1)S(N)(=O)=O InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N 10857 4-aminobenzene-1-sulfonamide::CHEMBL21::Sulfanilamide::aromatic sulfonamide compound 5::aromatic/heteroaromatic sulfonamide 2::halogenosulfanilamide deriv. 5a Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9840 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10857&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search SAN 8BCB,1AJ0,4F93,4F92,4COQ,6RL9 5333 46511429 45373 CHEMBL21 DB00259 C07458 ZINC00002101 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629179 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 480 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629180 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 KJADKKWYZYXHBB-XBWDGYHZSA-N 10887 Sulfamate 7::Topiramate (TPM)::US11535599, Example topiramate::[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 610 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10887&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search TOR 3LXE,3HKU,5JNA 5284627 46511457 63631 DB00273 6849 C07502 ZINC01530804 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629181 NS(=O)(=O)Cc1noc2ccccc12 InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) UBQNRHZMVUUOMG-UHFFFAOYSA-N 10888 1,2-benzoxazol-3-ylmethanesulfonamide::CHEMBL750::SPR_2::US10172837, Zonisamide::Zonisamide::Zonisamide (ZNA)::Zonisamide (ZNS)::Zonisamide, 1::Zonisamide, ZNS Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 286800 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10888&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ZON 3PO7 5734 46511458 10127 CHEMBL750 DB00909 7047 C07504 ZINC00004321 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50629182 Oc1ccccc1 InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H ISWSIDIOOBJBQZ-UHFFFAOYSA-N 26187 α-CA inhibitor, 11::CHEMBL14060::US9688816, 2::phenol Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 64000 ChEMBL 10.1021/jm1013242 10.7270/Q2NV9JJB 21332115 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Muhlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Griffith University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26187&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search IPH 2PZV,3NX8,1XDA,4OLA,1MPJ,1PN0,5HPU,7AT0,1XW7,3AIY,3NC0,5USS,1JHY,1JHX,1WAV,2OMB,2OMN,3ROV,1FOH,5KI6,4W5Q,4W5R,4W5T,4W5N,1Q4V,4W5O,5URU,5JS1,5JS2,3ZS2,1XU5,6IY8,1AIY,5UU4,5UU3,6MFN,6MFR,1LI2,3Q3O,7JP3,3V1G,3V19,3JSD,5AIY,6Q7S,4A71,5FRW,2OLD,3ZQR,6TYH,3KQ6,3P2X,4JMW,5KBE,2WS6,2WS7,2J9N,1ZNJ,6MDZ,5ILG,1V03,7WDG,7WDH,1RWE,3KMH,4Z4F,4Z4G,4Z4D,4Z4E,4Z4C,4Z4H,4Z4I,1QIY,5BQQ,4F3T,1ZEG,6CK2,5W3R,4AIY,7VQF,1FJW,3GKY,4P65,5NQ8,1W8P,3U3E,5EMS,4AJZ,5T7B,3F39,4H07,4I7L,1AI0,1AI7,4AKJ,2AIY,2VE7,5HRQ,3GUO,5UDP,5WEA,4HDS,5UQA,2AS3,3P33,1LPH,6Z44 996 56464624 15882 CHEMBL14060 DB03255 C00146 ZINC05133329 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50654541 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 480 8.3 ChEMBL 10.1016/j.bmc.2011.06.038 10.7270/Q24T6JRW 21757360 Nishimori, I; Minakuchi, T; Vullo, D; Scozzafava, A; Supuran, CT Kochi Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904706 NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18) IPPFWRRJWLCWGK-UHFFFAOYSA-N 33266 CHEMBL379206::azo-sulfonamide, 1a::p-Phenyldiazenyl derivative, 5 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9270 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33266&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 5472588 85266885 CHEMBL379206 ZINC04754099 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904709 Nc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+ JSHXITVMUADQEA-FOCLMDBBSA-N 33267 azo-sulfonamide, 1b Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7200 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33267&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4WA 5T75,5T72,5BYI 405487 85266886 ZINC05933303 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904712 CNc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O InChI=1S/C13H14N4O2S/c1-15-10-2-4-11(5-3-10)16-17-12-6-8-13(9-7-12)20(14,18)19/h2-9,15H,1H3,(H2,14,18,19)/b17-16+ RMLHDMTUTOMVIX-WUKNDPDISA-N 33268 azo-sulfonamide, 1c Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7690 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33268&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44246261 85266887 ZINC45283912 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904715 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O InChI=1S/C14H16N4O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3,(H2,15,19,20)/b17-16+ NZUPTIDAKYYKGC-WUKNDPDISA-N 33269 CHEMBL277836::azo-sulfonamide, 1d::cid_75522::p-Phenyldiazenyl derivative, 4 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6860 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33269&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 75522 85266888 CHEMBL277836 ZINC17857672 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904718 NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1 InChI=1S/C13H14N4O5S2/c14-24(21,22)13-7-5-12(6-8-13)17-16-11-3-1-10(2-4-11)15-9-23(18,19)20/h1-8,15H,9H2,(H2,14,21,22)(H,18,19,20)/p-1/b17-16+ YIQQXJXUKNXFKX-WUKNDPDISA-M 33270 azo-sulfonamide, 1e Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 6780 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33270&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 91896177 85266889 C15521 ZINC40631745 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904721 CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O InChI=1S/C14H16N4O5S2/c1-18(10-24(19,20)21)13-6-2-11(3-7-13)16-17-12-4-8-14(9-5-12)25(15,22)23/h2-9H,10H2,1H3,(H2,15,22,23)(H,19,20,21)/p-1/b17-16+ YWVULHAALOTZRC-WUKNDPDISA-M 33271 azo-sulfonamide, 1f Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8710 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33271&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 91896178 85266890 C15521 ZINC45255121 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904724 NS(=O)(=O)c1cccc(c1)N=Nc1ccc(O)cc1 InChI=1S/C12H11N3O3S/c13-19(17,18)12-3-1-2-10(8-12)15-14-9-4-6-11(16)7-5-9/h1-8,16H,(H2,13,17,18) HJVKSSWMWPZDOV-UHFFFAOYSA-N 33272 azo-sulfonamide, 2a Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8970 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33272&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44246266 85266891 ZINC45285345 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904727 Nc1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O InChI=1S/C12H12N4O2S/c13-9-4-6-10(7-5-9)15-16-11-2-1-3-12(8-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+ VAOWCMBATGAWIO-FOCLMDBBSA-N 33273 azo-sulfonamide, 2b Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7000 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33273&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44246267 85266892 ZINC45254295 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904730 CN(C)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O InChI=1S/C14H16N4O2S/c1-18(2)13-8-6-11(7-9-13)16-17-12-4-3-5-14(10-12)21(15,19)20/h3-10H,1-2H3,(H2,15,19,20)/b17-16+ AZWGZSIGPVBVHJ-WUKNDPDISA-N 33274 azo-sulfonamide, 2d Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7540 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33274&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 44246268 85266893 ZINC45298999 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904733 NS(=O)(=O)c1cccc(c1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1 InChI=1S/C13H14N4O5S2/c14-24(21,22)13-3-1-2-12(8-13)17-16-11-6-4-10(5-7-11)15-9-23(18,19)20/h1-8,15H,9H2,(H2,14,21,22)(H,18,19,20)/p-1/b17-16+ JGVSMDNGXYICHL-WUKNDPDISA-M 33275 azo-sulfonamide, 2e Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7510 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33275&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 91896179 85266894 C15521 ZINC45257452 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904736 CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O InChI=1S/C14H16N4O5S2/c1-18(10-24(19,20)21)13-7-5-11(6-8-13)16-17-12-3-2-4-14(9-12)25(15,22)23/h2-9H,10H2,1H3,(H2,15,22,23)(H,19,20,21)/p-1/b17-16+ VFJFILTXOYUJNN-WUKNDPDISA-M 33276 azo-sulfonamide, 2f Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 63000 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33276&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 91896180 85266895 C15521 ZINC45257277 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904739 [O-]S(=O)(=O)CNc1ccccc1 InChI=1S/C7H9NO3S/c9-12(10,11)6-8-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,9,10,11)/p-1 QKZIVVMOMKTVIK-UHFFFAOYSA-M 33277 sulfonate, 3 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8670 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33277&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 3761450 85266896 C15521 ZINC01688380 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904742 CN(CS([O-])(=O)=O)c1ccccc1 InChI=1S/C8H11NO3S/c1-9(7-13(10,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11,12)/p-1 XOGODJOZAUTXDH-UHFFFAOYSA-M 33278 sulfonate, 4 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 7860 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=33278&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 91896181 85266897 C15521 ZINC01609839 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904745 CC(=O)Nc1cc2c(O)c(N=Nc3ccc(cc3)S(N)(=O)=O)c(cc2cc1S(O)(=O)=O)S(O)(=O)=O InChI=1S/C18H16N4O10S3/c1-9(23)20-14-8-13-10(6-15(14)34(27,28)29)7-16(35(30,31)32)17(18(13)24)22-21-11-2-4-12(5-3-11)33(19,25)26/h2-8,24H,1H3,(H,20,23)(H2,19,25,26)(H,27,28,29)(H,30,31,32) RALNLQYPLYWQRT-UHFFFAOYSA-N 50221406 6-acetamido-4-hydroxy-3-((4-sulfamoylphenyl)diazenyl)naphthalene-2,7-disulfonic acid::6-acetylamino-4-hydroxy-3-(4-sulfamoyl-phenylazo)-naphthalene-2,7-disulfonic acid::CHEMBL237251 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 126 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221406&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 5464134 104094069 CHEMBL237251 ZINC28863804 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904748 CC(=O)Nc1nnc(s1)S(N)(=O)=O InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N 10880 AZA::AZA2::AZM acetazolamide::Acerazolamide, AAZ::Acetazolamide::Acetazolamide (AAZ)::Acetazolamide (AZA)::Acetazolamide (AZM)::Acetazolamide, 5::Acetazolamide, AAZ::Acetazolamide, AZA::Acetazolamide, AZM::CHEMBL20::N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::Sulfonamide, 1::US10172837, Acetazolamide::US11278534, Example acetazolamide::US11535599, Example acetazolamide::sulfonamide 1 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 481 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10880&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search AZM 4YGF,3W6H,3CZV,3V2J,3V2M,4G7A,4X5S,6QEB,1YDB,1YDA,1YDD,4LU3,3UCJ,4UOV,2UY4,4K0S,7COJ,4XIW,3HS4,4G0C,1DMY,1AZM,1JD0,1RJ6,1ZSB,2H4N,5JN8,8DYQ,3IAI,6IM3,5NEK,3DC3,2XTK,6MWJ,3ML5,6YMA 1986 46511450 27690 CHEMBL20 DB00819 6792 C06805 ZINC03813042 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904751 CC(=O)N=c1sc(nn1C)S(N)(=O)=O InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) FLOSMHQXBMRNHR-UHFFFAOYSA-N 10881 CHEMBL288100::MZA3::Methazolamide::Methazolamide (MZA)::Methazolamide, MZA::N-[(2Z)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]acetamide::Sulfonamide, 2::cid_4100::sulfonamide 2 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 781 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10881&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search MZM 4K0Z,4YHA,5KU6,1BZM,5C8I,3DAZ,3DCS 4100 46511451 CHEMBL288100 6828 ZINC12503151 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904754 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 IAVUPMFITXYVAF-XPUUQOCRSA-N 10884 (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide::Dorzolamide (DRZ)::Dorzolamide (DZA) Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 744 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10884&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ETS 4M2W,4M2U,4K13,3FW3,6BC9,1CIL 5284549 46511454 4702 DB00869 6810 C06969 ZINC01530621 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904757 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 HCRKCZRJWPKOAR-JTQLQIEISA-N 10885 (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::(R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-E)-1,2-thiazine-6-sulfonamide 1,1-dioxide::AL-4862::Azopt::Brinzolamide (BRZ)::brinzolamide Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 839 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10885&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search BZ1 3ZNC,4M2V,4M2R,6BBS 68844 46511455 3176 DB01194 6797 C07760 ZINC03953037 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904759 NCc1ccc(cc1)S(N)(=O)=O InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) TYMRLRRVMHJFTF-UHFFFAOYSA-N 10860 4-(aminomethyl)benzene-1-sulfonamide::CHEMBL419::MAFENIDE::aromatic sulfonamide compound 6::aromatic/heteroaromatic sulfonamide 5::hCA inhibitor, 9 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 8690 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10860&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 6LH 5JNC 3998 46511432 CHEMBL419 DB06795 C07106 ZINC00001644 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904761 NCCc1ccc(cc1)S(N)(=O)=O InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) FXNSVEQMUYPYJS-UHFFFAOYSA-N 10861 4-(2-aminoethyl)benzene-1-sulfonamide::CHEMBL7087::aromatic sulfonamide compound 7::aromatic/heteroaromatic sulfonamide 6 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 9560 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10861&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search ZYX 2NNG 169682 46511433 CHEMBL7087 DB08782 ZINC00056629 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904765 Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18) HHCXOFYGBAPOJR-UHFFFAOYSA-N 10871 4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide::CHEMBL266026::aromatic/heteroaromatic sulfonamide 16 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 612 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10871&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 4422372 46511442 CHEMBL266026 ZINC06392199 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50904766 Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19) WODATDPNMUWSHD-UHFFFAOYSA-N 10872 4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide::CHEMBL7146::aromatic/heteroaromatic sulfonamide 17 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 853 ChEMBL 10.1016/j.bmcl.2009.07.088 10.7270/Q2H70GSS 19651511 Maresca, A; Carta, F; Vullo, D; Scozzafava, A; Supuran, CT Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10872&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 9998322 46511443 CHEMBL7146 ZINC13488273 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973151 Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22) BBYVQBNYXZIDGW-UHFFFAOYSA-N 50399075 CHEMBL2179304 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 115 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399075&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search IE2 3QYK 56684131 163348099 CHEMBL2179304 ZINC95578669 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973166 NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3ncccc3-c12 InChI=1S/C15H12N4O2S2/c16-23(20,21)12-5-3-11(4-6-12)19-14-10(8-18-19)9-22-15-13(14)2-1-7-17-15/h1-8H,9H2,(H2,16,20,21) HLIMRHGQWNYSKN-UHFFFAOYSA-N 50399076 CHEMBL2179305 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 134 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399076&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 71450117 163348100 CHEMBL2179305 ZINC95573411 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973181 NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(ccc3-c12)C(F)(F)F InChI=1S/C17H12F3N3O2S2/c18-17(19,20)11-1-6-14-15(7-11)26-9-10-8-22-23(16(10)14)12-2-4-13(5-3-12)27(21,24)25/h1-8H,9H2,(H2,21,24,25) UIWAHXLXRURYJZ-UHFFFAOYSA-N 50399077 CHEMBL2179306 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 613 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399077&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 71455488 163348101 CHEMBL2179306 ZINC95575122 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973196 NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(Cl)ccc3-c12 InChI=1S/C16H12ClN3O2S2/c17-11-1-6-14-15(7-11)23-9-10-8-19-20(16(10)14)12-2-4-13(5-3-12)24(18,21)22/h1-8H,9H2,(H2,18,21,22) OEZYKWLLDKHTRE-UHFFFAOYSA-N 50399078 CHEMBL2179307 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 412 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399078&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 71457274 163348102 CHEMBL2179307 ZINC95573441 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973211 COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22) DMXTVXWEGNJBRF-UHFFFAOYSA-N 50399079 CHEMBL2179308 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 870 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399079&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search 71455489 163348103 CHEMBL2179308 ZINC95572827 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973226 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYSA-N 13063 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide::Bextra::CHEMBL865::VLX::Valdecoxib::cid_119607 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 12970 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13063&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search COX 2AW1 119607 46513481 63634 CHEMBL865 DB00580 2894 ZINC00006694 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612 50973241 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) RZEKVGVHFLEQIL-UHFFFAOYSA-N 11639 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide::CHEMBL118::CLX::Celebrex::Celecoxib::US10322118, Urea-Based Scaffold Entry 9::US11478464, Compound Celecoxib::US8741944, Comparative Compound::US9388139, Celecoxib::cid_2662 Beta-carbonic anhydrase 1 Mycobacterium tuberculosis 10350 ChEMBL 10.1021/jm300878g 10.7270/Q29S1S5G 23067387 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3613&target=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11639&enzyme=Beta-carbonic+anhydrase+1&column=ki&startPg=0&Increment=50&submit=Search CEL 3LN1,3KK6,5JW1,7ZEJ,4FIM,1OQ5 2662 46512162 41423 CHEMBL118 DB00482 2892 C07589 ZINC02570895 1 MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAGCVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESYPDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP 1YLK,4YF4,4YF5,4YF6 Beta-carbonic anhydrase 1 MTCA1_MYCTU P9WPJ7 L0T7U0 P64797 Q10612