P00352 | AL1A1_HUMAN | Aldehyde dehydrogenase 1A1 (ALDH1A1)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00171 | Aldedh - Aldehyde dehydrogenase family | 29~492 |
3D structures mapped by conservation among orthologs
[ Domain: "ALDH-like" // Aldedh_2nd ]
[ Domain: "ALDH-like" // Aldedh_1st_1 ]
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL4207222 |  |
IC50 | = | 5.0 | nM | 490.59 | COc1ccc2c(-c3ccc(C4(C#N)CC4)cc3)c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc2c1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4207617 |  |
IC50 | = | 7.0 | nM | 495.0 | CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(Cl)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4209722 |  |
IC50 | = | 7.0 | nM | 490.59 | COc1ccc2ncc(C(=O)N3CCN(S(C)(=O)=O)CC3)c(-c3ccc(C4(C#N)CC4)cc3)c2c1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4218688 |  |
IC50 | = | 8.0 | nM | 471.54 | CN(C)C(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4212891 |  |
IC50 | = | 8.0 | nM | 496.54 | CS(=O)(=O)N1CCN(C(=O)c2cnc3cc(F)c(F)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4213604 |  |
IC50 | = | 9.0 | nM | 496.54 | CS(=O)(=O)N1CCN(C(=O)c2cnc3c(F)cc(F)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4214314 |  |
IC50 | = | 13.0 | nM | 484.98 | O=C(c1cnc2ccc(Cl)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4204486 |  |
IC50 | = | 13.0 | nM | 484.99 | N#CC1(c2ccc(-c3c(C(=O)N4CCN(C(=O)C5CC5)CC4)cnc4ccc(Cl)cc34)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL1341327 |  |
IC50 | = | 17.0 | nM | 470.55 | COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC3(CC2)OCCO3)cc1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4214428 |  |
IC50 | = | 17.0 | nM | 437.57 | CC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4204849 |  |
IC50 | = | 17.0 | nM | 456.57 | N#CC1(c2ccc(-c3c(C(=O)N4CCN(C(=O)C5CC5)CC4)cnc4ccsc34)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4210851 |  |
IC50 | = | 19.0 | nM | 478.61 | O=C(c1cnc2ccc(F)cc2c1N1CCC2(CCCCC2)CC1)N1CCN(C(=O)C2CC2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4203770 |  |
IC50 | = | 19.0 | nM | 468.53 | O=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCN(C(=O)C2CC2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4216402 |  |
IC50 | = | 19.0 | nM | 480.57 | COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CC3)OCCO4)c2c1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4210133 |  |
IC50 | = | 20.0 | nM | 466.59 | CS(=O)(=O)N1CCN(C(=O)c2cnc3ccsc3c2-c2ccc(C3(C#N)CC3)cc2)CC1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL115581 |  |
IC50 | = | 20.0 | nM | 237.26 | O=C1C(=O)N(Cc2ccccc2)c2ccccc21 | Homo sapiens | CHEMBL3130567 | single protein format |
| CHEMBL3416562 |  |
IC50 | = | 20.0 | nM | 431.58 | CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCCC1 | Homo sapiens | CHEMBL4603775 | single protein format |
| CHEMBL120563 |  |
IC50 | = | 20.0 | nM | 240.44 | CN(C)C(=S)SSC(=S)N(C)C | Homo sapiens | CHEMBL4821208 | single protein format |
| CHEMBL4218208 |  |
IC50 | = | 21.0 | nM | 480.57 | COc1ccc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc2c1 | Homo sapiens | CHEMBL4189991 | single protein format |
| CHEMBL4217482 |  |
IC50 | = | 22.0 | nM | 482.56 | Cc1cc(F)cc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc12 | Homo sapiens | CHEMBL4189991 | single protein format |