P08686 | CP21A_HUMAN | Steroid 21-hydroxylase (CYP21A2)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00067 | p450 - Cytochrome P450 | 49~479 |
3D structures mapped by conservation among orthologs
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
Only the first 20 rows are shown.
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL3922888 |  |
IC50 | = | 28.0 | nM | 593.53 | O=S(=O)(C1CC1)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | Homo sapiens | CHEMBL3868074 | cell-based format |
| CHEMBL3894912 |  |
IC50 | = | 51.0 | nM | 595.55 | CC(C)S(=O)(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | Homo sapiens | CHEMBL3868074 | cell-based format |
| CHEMBL4290805 |  |
IC50 | = | 68.0 | nM | 496.39 | Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](OCc3ccc(-c4ccncc4)cc3)CO2)c(Cl)c1 | Homo sapiens | CHEMBL4257192 | cell-based format |
| CHEMBL4284756 |  |
IC50 | = | 73.0 | nM | 522.05 | CCOC(=O)CNC(=O)NC1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL3952032 |  |
IC50 | = | 78.0 | nM | 592.51 | N#CCS(=O)(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | Homo sapiens | CHEMBL3868074 | cell-based format |
| CHEMBL4279221 |  |
IC50 | = | 85.0 | nM | 485.05 | CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4291856 |  |
IC50 | = | 130.0 | nM | 595.55 | CCS(=O)(=O)N1CCN(c2ccc(CO[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)OC3)cc2)CC1 | Homo sapiens | CHEMBL4257192 | cell-based format |
| CHEMBL4287787 |  |
IC50 | = | 160.0 | nM | 564.07 | O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(/C=C/c4cc(Cl)cc(Cn5ccnc5)c4)cc3)CC2)c1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4127656 |  |
IC50 | = | 190.0 | nM | 465.59 | CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4289930 |  |
IC50 | = | 208.0 | nM | 545.47 | CC(=O)N1CCN(c2ccc(CO[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)OC3)cc2)CC1 | Homo sapiens | CHEMBL4257192 | cell-based format |
| CHEMBL4291002 |  |
IC50 | = | 250.0 | nM | 508.02 | CCOC(=O)CNC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL3913908 |  |
IC50 | = | 271.0 | nM | 581.52 | CCS(=O)(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | Homo sapiens | CHEMBL3868074 | cell-based format |
| CHEMBL4279727 |  |
IC50 | = | 285.0 | nM | 494.04 | N#Cc1cccc(CN2CCN(c3ccc(/C=C/c4cc(Cl)cc(Cn5ccnc5)c4)cc3)CC2)c1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4128368 |  |
IC50 | = | 316.0 | nM | 491.51 | O=S(=O)(N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1)C(F)(F)F | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4127385 |  |
IC50 | = | 340.0 | nM | 483.04 | O=S(=O)(C1CC1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4279058 |  |
IC50 | = | 391.0 | nM | 461.95 | Clc1ccccc1[C@]1(Cn2ccnc2)OC[C@@H](OCc2ccc(-c3ccncc3)cc2)CO1 | Homo sapiens | CHEMBL4257192 | cell-based format |
| CHEMBL4126996 |  |
IC50 | = | 393.0 | nM | 463.58 | O=S(=O)(C1CC1)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4128640 |  |
IC50 | = | 416.0 | nM | 480.03 | O=S(=O)(C1CC1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4129721 |  |
IC50 | = | 430.0 | nM | 401.49 | CC(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 | Homo sapiens | CHEMBL4257178 | cell-based format |
| CHEMBL4288457 |  |
IC50 | = | 490.0 | nM | 354.43 | Fc1cc(CCc2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1 | Homo sapiens | CHEMBL4257178 | cell-based format |