P14550 | AK1A1_HUMAN | Aldo-keto reductase family 1 member A1 (AKR1A1)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00248 | Aldo_ket_red - Aldo/keto reductase family | 17~293 |
3D structures mapped by conservation among orthologs
[ Domain: "TIM barrels" // Aldo_ket_red ]
[ 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL273910 |  |
IC50 | = | 6.7 | nM | 449.21 | O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 | Homo sapiens | CHEMBL1174255 | assay format |
| CHEMBL5431713 |  |
IC50 | = | 29.0 | nM | 358.3 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1cc(OC3COC3)c(F)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5396251 |  |
IC50 | = | 33.0 | nM | 322.34 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(C3CCC3)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5400944 |  |
IC50 | = | 42.0 | nM | 342.28 | O=C(O)COc1ccc2c(c1)-c1ccc(F)cc1C21NC(=O)NC1=O | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL269455 |  |
IC50 | = | 45.0 | nM | 286.24 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(F)cc12 | Homo sapiens | CHEMBL5340494 | cell-based format |
| CHEMBL5397238 |  |
IC50 | = | 48.0 | nM | 360.27 | O=C(O)Cc1c(O)c(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5417323 |  |
IC50 | = | 51.0 | nM | 347.14 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(Br)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5438141 |  |
IC50 | = | 53.0 | nM | 284.7 | O=C1NC(=O)C2(N1)c1ccccc1-c1ccc(Cl)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5431549 |  |
IC50 | = | 57.0 | nM | 344.27 | O=C(O)Cc1cc(F)cc2c1-c1ccc(F)cc1C21NC(=O)NC1=O | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5414200 |  |
IC50 | = | 59.0 | nM | 399.35 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1c(OCC(=O)N3CCC3)cc(F)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5418720 |  |
IC50 | = | 66.0 | nM | 421.41 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1c(-c3cn(C4CCCC4)nn3)cc(F)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5400147 |  |
IC50 | = | 67.0 | nM | 286.24 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1c(F)cccc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5414059 |  |
IC50 | = | 68.0 | nM | 298.27 | COc1ccc2c(c1)-c1ccc(F)cc1C21NC(=O)NC1=O | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5400501 |  |
IC50 | = | 72.0 | nM | 326.3 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1cc(C3CC3)c(F)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5421140 |  |
IC50 | = | 74.0 | nM | 328.3 | O=C1NC(=O)C2(N1)c1ccc(OCCO)cc1-c1ccc(F)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5413369 |  |
IC50 | = | 80.0 | nM | 381.36 | O=C1NC(=O)C2(N1)c1ccc(OCC(=O)N3CCC3)cc1-c1ccc(F)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5397588 |  |
IC50 | = | 82.0 | nM | 268.25 | O=C1NC(=O)C2(N1)c1ccccc1-c1c(F)cccc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5399554 |  |
IC50 | = | 82.0 | nM | 360.27 | O=C(O)COc1cc2c(cc1F)C1(NC(=O)NC1=O)c1cc(F)ccc1-2 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5483061 |  |
IC50 | = | 93.0 | nM | 290.32 | O=C1NC(=O)C2(N1)c1ccccc1-c1ccc(C3CC3)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |
| CHEMBL5423635 |  |
IC50 | = | 122.0 | nM | 308.31 | O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(C3CC3)cc12 | Homo sapiens | CHEMBL5340495 | cell-based format |