Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM10555
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
12±n/a nM
Citation
 Mellon, C; Aspiotis, R; Black, CW; Bayly, CI; Grimm, EL; Giroux, A; Han, Y; Isabel, E; McKay, DJ; Nicholson, DW; Rasper, DM; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Lipophilic versus hydrogen-bonding effect in P3 on potency and selectivity of valine aspartyl ketones as caspase 3 inhibitors. Bioorg Med Chem Lett 15:3886-90 (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:
BDBM10555
Synonyms:
(3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-methoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamido}-3-methylbutanamido]-4-oxopentanoic acid | valine aspartyl ketone 34
Type:
Small organic molecule
Emp. Form.:
C29H34N4O8S
Mol. Mass.:
598.667
SMILES:
COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |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