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TargetCaspase-3
LigandBDBM50160961
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305651 (CHEMBL829509)
IC50 0.005000±n/a nM
Citation Han, YGiroux, AColucci, JBayly, CIMckay, DJRoy, SXanthoudakis, SVaillancourt, JRasper, DMTam, JTawa, PNicholson, DWZamboni, RJ Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett15:1173-80 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-3
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:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50160961
n/a
NameBDBM50160961
Synonyms:(S)-5-Benzylsulfanyl-3-{(S)-2-[2-(5-methanesulfonyl-2-methoxy-phenyl)-acetylamino]-3-methyl-butyrylamino}-4-oxo-pentanoic acid | CHEMBL425699
TypeSmall organic molecule
Emp. Form.C27H34N2O8S2
Mol. Mass.578.697
SMILESCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)S(C)(=O)=O
Structure
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