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P42575 | CASP2_HUMAN | Caspase-2 (CASP2)

3D structures mapped by conservation among orthologs

[ Domain: "Caspase-like" // Peptidase_C14 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1835210 OBDepict HO O N H H HN O O H N H H N O H 3 C CH 3 H 3 C CH 3 O CH 3 H N H O H OH O O IC50 = 41.0 nM 569.61 CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C Homo sapiens CHEMBL1838642 single protein format
CHEMBL1835209 OBDepict OH O NH H N H O O H HN H NH O CH 3 CH 3 H 3 C H 3 C O CH 3 H 3 C H N H O H HO O O IC50 = 46.0 nM 543.57 CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C Homo sapiens CHEMBL1838642 single protein format
CHEMBL1835322 OBDepict HO O N H H HN O O H NH H N O CH 3 CH 3 CH 3 CH 3 O H 3 C H N H O H HO O O IC50 = 86.0 nM 583.64 CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C Homo sapiens CHEMBL1838642 single protein format
CHEMBL1835211 OBDepict CH 3 O H H N N H O O H N H H OH O H 3 C CH 3 O O HN H O O OH HN H CH 3 H 3 C O CH 3 IC50 = 108.0 nM 599.64 CO[C@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H]1C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL1838642 single protein format
CHEMBL438969 OBDepict O NH N O O O N H O IC50 = 231.0 nM 357.37 O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863728 single protein format
CHEMBL439872 OBDepict CH 3 O O N H O O O NH O IC50 = 233.0 nM 366.33 CC(=O)OC(C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1 Homo sapiens CHEMBL863728 single protein format
CHEMBL382481 OBDepict Cl N H O O O HN O IC50 = 530.0 nM 280.67 O=C(CCCl)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863728 single protein format
CHEMBL203709 OBDepict H 3 C O N H O HN O O O NH O IC50 = 537.0 nM 395.37 COc1ccccc1NC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863728 single protein format
CHEMBL202971 OBDepict OH O N H O O O HN O IC50 = 859.0 nM 290.23 O=C(O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863728 single protein format
CHEMBL358725 OBDepict O N H H O O OH N N H S O O OH O OH Ki = 960.0 nM 451.41 O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1 Homo sapiens CHEMBL658905 single protein format