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Target
Caspase-3
Ligand
BDBM10652
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
0.771±n/a nM
Citation
 Becker, JW; Rotonda, J; Soisson, SM; Aspiotis, R; Bayly, C; Francoeur, S; Gallant, M; Garcia-Calvo, M; Giroux, A; Grimm, E; Han, Y; McKay, D; Nicholson, DW; Peterson, E; Renaud, J; Roy, S; Thornberry, N; Zamboni, R Reducing the peptidyl features of caspase-3 inhibitors: a structural analysis. J Med Chem 47:2466-74 (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:
BDBM10652
Synonyms:
(3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formamidopropanoic acid]-4-formamidobutanoic acid]-3-methylbutanamido]-4-oxo-7-phenylheptanoic acid | CHEMBL443565 | Compound 2 | PHENYL-PROPYL-KETONE INHIBITOR
Type:
Small organic molecule
Emp. Form.:
C29H40N4O11
Mol. Mass.:
620.6481
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |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