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Target
Caspase-3
Ligand
BDBM50161456
Substrate
n/a
Meas. Tech.
ChEBML_304770
IC50
5±n/a nM
Citation
 Wang, Y; Guan, L; Jia, S; Tseng, B; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P2 alpha-amino acid by a alpha-hydroxy acid. Bioorg Med Chem Lett 15:1379-83 (2005) [PubMed]  Article 
Target
Name:
Caspase-3
Synonyms:
Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein
Type:
Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:
31607.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM50161456
Synonyms:
3-[(S)-2-(2,5-Dichloro-phenylcarbamoyloxy)-3-methyl-butyrylamino]-5-fluoro-4-oxo-pentanoic acid | CHEMBL181241
Type:
Small organic molecule
Emp. Form.:
C17H19Cl2FN2O6
Mol. Mass.:
437.247
SMILES:
CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
Structure:
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