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Target
Caspase-3
Ligand
BDBM10246
Substrate
Caspase-3 Substrate
Meas. Tech.
Enzyme Inhibition Assay
IC50
2.2±n/a nM
Citation
 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6. J Med Chem 52:2188-91 (2009) [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:
BDBM10246
Synonyms:
(4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid | Ac-DEVD-CHO | CHEMBL417149
Type:
Small organic molecule
Emp. Form.:
C20H30N4O11
Mol. Mass.:
502.4724
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 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-3 Substrate
Synonyms:
N-Acetyl-Asp-Glu-Val-Asp-7-amido-4-methylcoumarin
Type:
Fluorogenic Substrate
Mol. Mass.:
953.05
Organism:
n/a
Description:
n/a
Residue:
9
Sequence:
ACDEVDAMC