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Target
Caspase-3
Ligand
BDBM50140551
Substrate
n/a
Meas. Tech.
ChEBML_46656
IC50
100±n/a nM
Citation
 Wang, Y; Huang, JC; Zhou, ZL; Yang, W; Guastella, J; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase-3 inhibitors: SAR of the P2 amino acid. Bioorg Med Chem Lett 14:1269-72 (2004) [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:
BDBM50140551
Synonyms:
3-((S)-2-Benzyloxycarbonylamino-2-phenyl-acetylamino)-5-fluoro-4-oxo-pentanoic acid | CHEMBL23816
Type:
Small organic molecule
Emp. Form.:
C21H21FN2O6
Mol. Mass.:
416.3996
SMILES:
OC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)CF
Structure:
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