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Q16850 | CP51A_HUMAN | Lanosterol 14-alpha demethylase (CYP51A1)

3D structures mapped by conservation among orthologs

[ Domain: "Cytochrome P450" // p450 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL157101 OBDepict Cl Cl O O N O N N N O CH 3 Ki = 24.5 nM 531.44 CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 Homo sapiens CHEMBL823964 microsome format
CHEMBL305220 OBDepict H 2 N S H O O N N Cl Ki = 40.4 nM 429.97 Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Homo sapiens CHEMBL823964 microsome format
CHEMBL808 OBDepict Cl O N Cl N Cl IC50 = 50.0 nM 381.69 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL104 OBDepict Cl N N IC50 = 130.0 nM 344.85 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL157101 OBDepict Cl Cl O O N O N N N O CH 3 IC50 = 190.0 nM 531.44 CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL91 OBDepict Cl Cl O N Cl N Cl IC50 = 200.0 nM 416.14 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL410852 OBDepict HO N O N H H O Cl N H Cl IC50 = 300.0 nM 460.36 O=C(N[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL277535 OBDepict N N IC50 = 342.0 nM 310.4 c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL3629567 OBDepict F F N H H N O N N O N IC50 < 500.0 nM 547.57 O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 Homo sapiens CHEMBL4323742 assay format
CHEMBL4277680 OBDepict F Cl N H H N O N N O N IC50 < 500.0 nM 564.02 O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 Homo sapiens CHEMBL4323742 assay format
CHEMBL259552 OBDepict HO N O N H H O F N H Cl IC50 = 800.0 nM 443.91 O=C(N[C@@H](Cc1ccccc1F)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 Homo sapiens CHEMBL934981 cell-based format
CHEMBL409630 OBDepict HO N O N H H O N H IC50 = 910.0 nM 391.47 O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL934981 cell-based format