P49662 | CASP4_HUMAN | Caspase-4 (CASP4)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00619 | CARD - Caspase recruitment domain | 5~81 | |
| PF00656 | Peptidase_C14 - Caspase domain | 135~372 |
3D structures mapped by conservation among orthologs
[ 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL3949842 |  |
IC50 | = | 21.0 | nM | 406.58 | c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL2323966 |  |
IC50 | = | 90.0 | nM | 557.07 | CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O | Homo sapiens | CHEMBL2327252 | single protein format |
| CHEMBL3970645 |  |
IC50 | = | 320.0 | nM | 496.66 | O=C(c1ccccc1)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3941088 |  |
IC50 | = | 400.0 | nM | 452.6 | COc1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(OC)c1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL179503 |  |
IC50 | = | 500.0 | nM | 598.15 | CCCCCN(C)CC(=O)C(CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O.Cl | Homo sapiens | CHEMBL832947 | assay format |
| CHEMBL3905486 |  |
IC50 | = | 560.0 | nM | 302.43 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3984293 |  |
IC50 | = | 580.0 | nM | 437.55 | O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3898379 |  |
IC50 | = | 670.0 | nM | 520.72 | Cc1c(C)c2c(c(C)c1O)CC(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)C(C)O2 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3904435 |  |
IC50 | = | 721.0 | nM | 437.55 | O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3939229 |  |
IC50 | = | 746.0 | nM | 422.58 | COc1cccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3978901 |  |
IC50 | = | 826.0 | nM | 398.6 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3949842 | |
Ki | = | 8.0 | nM | 406.58 | c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3970645 | |
Ki | = | 119.0 | nM | 496.66 | O=C(c1ccccc1)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3941088 | |
Ki | = | 148.0 | nM | 452.6 | COc1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(OC)c1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3905486 | |
Ki | = | 207.0 | nM | 302.43 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3984293 | |
Ki | = | 215.0 | nM | 437.55 | O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3898379 | |
Ki | = | 248.0 | nM | 520.72 | Cc1c(C)c2c(c(C)c1O)CC(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)C(C)O2 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3904435 | |
Ki | = | 267.0 | nM | 437.55 | O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3939229 | |
Ki | = | 276.0 | nM | 422.58 | COc1cccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 | Homo sapiens | CHEMBL3864978 | assay format |
| CHEMBL3978901 | |
Ki | = | 306.0 | nM | 398.6 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 | Homo sapiens | CHEMBL3864978 | assay format |