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 200678 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 LEZWWPYKPKIXLL-UHFFFAOYSA-N 31773 ECONAZOLE::Econazole nitrate::Gyno-pevaryl::Pevaryl::cid_68589 Steroid C26-monooxygenase Mycobacterium tuberculosis 4.6e+3 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31773&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search ECL 6B5V,3JUS,7S8C,3R9C 3198 85240399 DB01127 C08068 ZINC00643055 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200681 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H VNFPBHJOKIVQEB-UHFFFAOYSA-N 31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812 Steroid C26-monooxygenase Mycobacterium tuberculosis 3.8e+3 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31774&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search CL6 6H1T,4XE3,7AXJ,7AXA,6UW2,3MDV,2XFH 2812 85240400 3764 CHEMBL104 DB00257 2330 C06922 ZINC03807804 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200684 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2 BYBLEWFAAKGYCD-UHFFFAOYSA-N 31772 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid::Brentan::CHEMBL91::Dactarin::Miconazole::US9138393, Miconazole Nitrate::US9144538, Miconazole Nitrate::cid_4189 Steroid C26-monooxygenase Mycobacterium tuberculosis 4.0e+3 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31772&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search X89 3OZU 4189 85240398 6923 CHEMBL91 DB01110 2449 C08070 ZINC00896740 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200687 CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 XMAYWYJOQHXEEK-OZXSUGGESA-N 8610 1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one::24F2-1,25(OH)D3::CHEMBL75::KTZ::Ketoconazole::Ketoconazole (k)::US9138393, Ketoconozole::US9144538, Ketoconozole Steroid C26-monooxygenase Mycobacterium tuberculosis 2.1e+4 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8610&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search KKK 5LI8,3OZW,3LD6,6AYB 456201 11109351 48339 CHEMBL75 2568 ZINC00643138 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200689 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 RFHAOTPXVQNOHP-UHFFFAOYSA-N 25817 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol::CHEMBL106::Diflucan::Fluconazole::Fluconazole (f)::Fungata::Triflucan::US10221160, Fluconazole::US11247981, Example Fluconazole::US9138393, Fluconazole::US9144538, Fluconazole::US9221791, Fluconazole::US9556143, Fluconazole::cid_3365 Steroid C26-monooxygenase Mycobacterium tuberculosis 8.60e+5 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25817&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search TPF 4WMZ,2WV2,3L4D,4ZE3,6H1S,1EA1,4ZDZ,6MA7,3KHM,5ESJ,2WX2,5ESF,5ESE,5ESM,6AY4,2IJ7,2WUZ 3365 56413105 46081 CHEMBL106 DB00196 ZINC00004009 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200694 c1nc(c[nH]1)-c1ccccc1 InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11) XHLKOHSAWQPOFO-UHFFFAOYSA-N 24656 4-PIM::4-Phenylimidazole::4-phenyl-1H-imidazole::4-phenylimidazole, 4-PI::CHEMBL14145::US9138393, 4-Phenyl- imidazole::US9144538, 4-Phenylimidazole Steroid C26-monooxygenase Mycobacterium tuberculosis 1.20e+4 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24656&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search 231 5PHE 69590 56269607 CHEMBL14145 ZINC96308811 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200696 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 NYOXRYYXRWJDKP-GYKMGIIDSA-N 92505 4-Cholesten-3-one::Steroid scaffold, 14 Steroid C26-monooxygenase Mycobacterium tuberculosis 3.6e+2 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92505&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search K2B 2YOO,6T0F,7SMZ,3SN5,7SH5,2X5W 91477 160845002 16175 C00599 ZINC06569094 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200698 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 HVYWMOMLDIMFJA-DPAQBDIFSA-N 20192 (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol::cholesterol Steroid C26-monooxygenase Mycobacterium tuberculosis 3.4e+2 Curated from the literature by BindingDB 10.1074/jbc.M110.164293 10.7270/Q2251GR0 20889498 aid1799791 Driscoll, MD; McLean, KJ; Levy, C; Mast, N; Pikuleva, IA; Lafite, P; Rigby, SE; Leys, D; Munro, AW Manchester Interdisciplinary Biocentre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=20192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=20192&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search CLR 7A65,6RVD,7F61,7F6V,7F6I,7F6H,7F6G,7CFM,7WGT,7WGD,7URD,7FEE,7ET1,5OM1,5OM4,6VI4,7TBZ,5UPH,8HAF,5JQH,7KY5,7KY7,7KYA,6UD4,6UD8,5NLX,7DUR,7DUQ,7USX,7TAI,7Q1U,7VUY,7VUZ,6PT2,6PT0,7VR8,3NYA,3NY8,3NY9,7URC,7URA,7ZI0,7FDV,8H8J,8I2G,7LH2,8BI0,7TVZ,7PXH,4BQU,5OLV,5OLZ,5OLG,5OLH,5OLO,7EVM,7V62,7V6Y,7WYY,7WYX,7WYZ,7WYS,7BTS,6L48,6L47,7EHL,7WWB,7V6Z,7PP1,7E2Z,7E2X,7E2Y,6VUM,7MIY,8HDO,5NM4,5NM2,7XVF,7XVE,1N83,3N9Y,5X7D,6LW5,8HA0,6QEX,6QEE,6OBA,6BHU,6WQA,7V19,6IIU,6IIV,7ROQ,7UHG,7QTV,6D35,7VV3,7VV4,7R8E,7VV6,7LJD,7LJC,5WB2,7V74,7V75,7V73,8GHF,6O1V,7BU6,7BU7,7EKI,7FJE,7FJD,7SMM,7SMQ,7SMS,7SMT,5X93,7NEQ,7DW9,6XBJ,6XBK,6XBL,7XW5,7XW6,7USW,7LFT,7NA7,7CA3,6WGT,7TC0,7Y27,7LI7,7LIA,7VV5,6TPK,7NIW,4NTJ,4DKL,7DRT,5AVS,5AVT,5AVU,5AVV,5AVW,5AVX,7WC9,7WC8,7WC7,7WC6,7WC5,7WC4,5VRA,7XBW,6CO7,4XT1,7N6R,6VN7,8EF6,7D76,7D77,7YKD,8CT3,8CT2,8CTE,7WFR,7SL8,5JTB,6GT3,5WVR,6HIJ,7LGU,7LGW,7CFN,4XNV,4XNU,4XNX,6AWP,6AWQ,6AWN,6AWO,6WH4,6LQG,7T92,7T2G,7CUM,6T9O,6T9N,8EF5,8EFO,7E32,7RM5,4EIY,7KY8,8HK2,2ZXE,7F9Y,6M2R,5C1M,8GNE,7VAB,7VOD,7VOE,7VV0,5L7D,8CUB,8CU6,8CU7,5D6L,6PB0,6PB1,3KDP,7TJ9,7TJ8,8HDP,7VR7,8FYN,7SMR,6WIV,6LPJ,6LPK,6LPL,5AW3,5AW2,5AW1,5AW0,5AW7,5AW6,5AW5,5AW4,5AW9,5AW8,7M5Y,7DDF,7DDI,7DDK,7DDL,6V22,6N7H,6N7K,6N7G,7LKP,3WGV,3WGU,6IDF,7WE4,7WEL,8FHD,6W5R,6W5S,6W5V,6W5T,6W5U,5MZJ,6LFO,6M3Z,6M38,7VLA,7VL9,7VL8,8CRT,8CRQ,8CRR,6PEQ,7PXE,7PXG,7PX4,4NC3,5ZM7,5ZM5,7ARO,5AVR,7JV5,7JVQ,7JVP,4M48,6ZDR,6ZDV,6F34,5AVQ,5AVZ,6UY0,7M95,6MSM,6A94,6A93,6JZH,8F7S,8F7R,8F7Q,8F7W,7WFW,7VFX,7XER,7XEU,7XEM,6MG8,7OJH,7OJI,7OJ8,7ZYI,6NBF,6NBH,6NBI,7WQ3,7WQ4,6V9S,6M0Z,6M0F,7V3Z,6UCB,6JXI,8EFL,7UZQ,7UZE,7UZ3,8CSX,8CS9,7PYR,3D4S,3A3Y,6VXH,6VXI,6VXJ,7NA8,3JD8,6S7P,6LR4,8DPH,8DPI,8DPF,7N6Q,7DF8,6RZ9,6RZ6,6RZ7,7DFZ,7DFW,6TLQ,3K2S,6IBB,7F16,5LWE,5UVI,6V38,6V35,6V3F,5AVY,8FD7,7D8X,7VGZ,7VGY,5TVN,7FD2,8EIO,8EIG,8EIQ,5IUA,5IUB,5IU4,5IU7,5IU8,7CZ5,7V07,1ZHY,7V0S,7V0K,8SI8,8SI4,8SI5,8SI6,8SI7,8SI2,8SI3,8SIA,7SHF,4XE5,7CKZ,7CKY,7CKX,7CKW,7WLW,7CU3,4RES,6IYC,6S0Q,4HYT,6OMM,7X22,7X21,7X24,7X2C,7X2F,7X2D,6O3C,6WLW,3AM6,5SY1,7Y5T,7Y5Z,7Y5X,7EJX,6N4B,3GKI,7N4X,7N4V,7N4U,4PXZ,4BOE,6LFM,7M5X,7OCA,7OCE,7BVQ,7DDH,7E14,5TCX,8EPL,6JXH,6JXJ,6JXK,7SIL,7D92,7D93,7D91,7D94,7VDH,7VDM,7VDL,7RR9,7SV7,7SVD,8BHT,5XR8,5K2D,5K2B,5K2C,5K2A,5XRA,7W9W,6OS1,6OS2,7SK9,7SK8,7SK7,7SK5,7SK4,7SK3,6WBG,6WBF,6WBN,6WBM,1LRI,7W2Z,5I73,5I71,5I75,5I74,6GYH,7WZ0,4OR2,7YAE,5OQT,6PS3,6PS2,6PS1,6PS0,6PS7,6PS6,6PS5,6PS4,6WM2,6JMQ,2RH1,7RKM,7Y46,7TBW,7A69,7A6C,7A6F,7A6E,7TBY,7WLD,8DPG,6T4G,6T4I,6A15,7P00,7P02,7R8B,7R8A,7R8D,7WYU,7WYT,7WYW,7WYV,7MGW,7DTY,7XBX,6B73,7EKT,7EKP,7NIU,7NIV,5I6X,7FIN,7FIY,6PRZ,6AQF,8DU3,7SIM,5N2R,7RHR,7RHQ,3PDS,7SHE,5D5A,5D5B,7C9I,4XP1,4XP4,4XP5,4XP6,4XP9,4XPT,4XPA,4XPB,4XPF,4XPG,4XPH,7EUO,7MIX,7MFI,7Q6Z,5MZP,8CXO,6DS0,6NF4,6KUW,7WU5,7WU4,6S0L,6M47,7NF6,7NF8,4HQJ,7XTC,7XT9,7XT8,4RET,7Y45,4IB4,6DRX,6DRY,6DRZ 5997 49688267 16113 2718 C00187 ZINC03875383 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200852 Nc1ccc(Sc2ccc(cc2)N2C(=O)c3ccc(N)cc3C2=O)cc1 InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2 FQQVTDIBUYSVHM-UHFFFAOYSA-N 92569 Arylamine compound 2 Steroid C26-monooxygenase Mycobacterium tuberculosis 1.7e+2 Curated from the literature by BindingDB 10.1074/jbc.M109.017632 10.7270/Q2RR1WVC 19605350 aid1799801 Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR University of California San Francisco http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92569&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search II2 2WH8 1202104 160845066 DB07971 ZINC00969294 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200853 Nc1ccccc1 InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 PAYRUJLWNCNPSJ-UHFFFAOYSA-N 92572 Aniline Steroid C26-monooxygenase Mycobacterium tuberculosis 5.92e+4 Curated from the literature by BindingDB 10.1074/jbc.M109.017632 10.7270/Q2RR1WVC 19605350 aid1799801 Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR University of California San Francisco http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92572&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search ANL 1PPA,2OV4,7BS7,5MNA,5MNC,5CIE,3MS3,1HJ9,7BS0,3GUN,1AEE 6115 160845069 17296 DB06728 C00292 ZINC17886255 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200854 NCc1ccccc1 InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 WGQKYBSKWIADBV-UHFFFAOYSA-N 10999 Benzenemethanamine::CHEMBL522::benzylamine::phenylmethanamine Steroid C26-monooxygenase Mycobacterium tuberculosis 1.0e+2 Curated from the literature by BindingDB 10.1074/jbc.M109.017632 10.7270/Q2RR1WVC 19605350 aid1799801 Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR University of California San Francisco http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10999&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search ABN 5PA9,1UTJ,2HXC,5MNL,5MNM,5MNK,4JSU,4JSQ,2BZA,3NZW,4EV5,1N6Y,1N6X,2EUS,1UTN,6T56,4JT0,3NZX,3NZJ 7504 172097193 40538 CHEMBL522 DB02464 C15562 ZINC06096244 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563 200855 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 LEZWWPYKPKIXLL-UHFFFAOYSA-N 31773 ECONAZOLE::Econazole nitrate::Gyno-pevaryl::Pevaryl::cid_68589 Steroid C26-monooxygenase Mycobacterium tuberculosis 3.3e+2 Curated from the literature by BindingDB 10.1074/jbc.M109.017632 10.7270/Q2RR1WVC 19605350 aid1799801 Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR University of California San Francisco http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5177&target=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31773&enzyme=Steroid+C26-monooxygenase&column=ki&startPg=0&Increment=50&submit=Search ECL 6B5V,3JUS,7S8C,3R9C 3198 85240399 DB01127 C08068 ZINC00643055 1 MRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRRLPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG 2XKR,7P5T,7QJL,7QQ7,7SMZ,7TLO,8A6W,8A9P Steroid C26-monooxygenase CP142_MYCTO P9WPL4 D0EW73 F2GEM8 O53563