Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM10552
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
10±n/a nM
Citation
 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Discovery of novel aspartyl ketone dipeptides as potent and selective caspase-3 inhibitors. Bioorg Med Chem Lett 14:805-8 (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:
BDBM10552
Synonyms:
(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid | valine aspartyl ketone 31 | valine aspartyl ketone analog 15
Type:
Small organic molecule
Emp. Form.:
C28H34N2O7S
Mol. Mass.:
542.644
SMILES:
COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase Fluorogenic Substrate
Synonyms:
Ac-DEVD-AMC | Caspase Fluorogenic Substrate
Type:
Peptide
Mol. Mass.:
1461.77
Organism:
n/a
Description:
AMC=7-Amino-4-methylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAMC