P05091 | ALDH2_HUMAN | Aldehyde dehydrogenase, mitochondrial (ALDH2)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00171 | Aldedh - Aldehyde dehydrogenase family | 45~508 |
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 |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL3660752 |  |
IC50 | = | 2.3 | nM | 591.69 | CN(C(=O)OC(C)(C)C)C1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL113123 |  |
IC50 | = | 3.0 | nM | 438.52 | O=C(O)CCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 | Homo sapiens | CHEMBL641008 | single protein format |
| CHEMBL3660748 |  |
IC50 | = | 4.0 | nM | 476.55 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CCC5)C4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL112696 |  |
IC50 | = | 4.0 | nM | 424.49 | O=C(O)CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 | Homo sapiens | CHEMBL641008 | single protein format |
| CHEMBL3935026 |  |
IC50 | < | 4.9 | nM | 419.46 | Cn1cncc1C#Cc1ccc2c(=O)c(-c3ccc(CN[SH](=O)=O)cc3)coc2c1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660751 |  |
IC50 | = | 5.0 | nM | 577.66 | CC(C)(C)OC(=O)NC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660728 |  |
IC50 | = | 5.0 | nM | 462.53 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC5)C4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660747 |  |
IC50 | = | 5.0 | nM | 498.51 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC5(F)F)C4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660742 |  |
IC50 | = | 5.0 | nM | 506.58 | CC1(O)CC(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)C1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660749 |  |
IC50 | = | 6.0 | nM | 476.55 | CC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660739 |  |
IC50 | = | 6.0 | nM | 512.53 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC(F)(F)C5)C4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660744 |  |
IC50 | = | 6.0 | nM | 492.55 | CC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)COC1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660750 |  |
IC50 | = | 6.0 | nM | 591.69 | CC(C)(C)OC(=O)NC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CCC1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660730 |  |
IC50 | = | 6.5 | nM | 490.58 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCN(C(=O)C5CC5)CC4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660732 |  |
IC50 | = | 7.0 | nM | 447.52 | CC(C)n1cncc1C#Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660738 |  |
IC50 | = | 8.0 | nM | 480.54 | COCCC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660735 |  |
IC50 | = | 9.0 | nM | 506.58 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)OC5CCCC5)C4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660726 |  |
IC50 | = | 9.0 | nM | 494.57 | CC(C)(C)OC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL3660727 |  |
IC50 | = | 9.0 | nM | 432.46 | CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cc[nH]c(=O)c4)ccc3c2=O)cc1 | Homo sapiens | CHEMBL3705108 | single protein format |
| CHEMBL113640 |  |
IC50 | = | 9.0 | nM | 368.39 | O=C(O)CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 | Homo sapiens | CHEMBL641008 | single protein format |