Target
Caspase-3
Ligand
BDBM50160948
Substrate
n/a
Meas. Tech.
ChEMBL_305651 (CHEMBL829509)
IC50
0.026000±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 Lett 15:1173-80 (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:
BDBM50160948
Synonyms:
(S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid | CHEMBL181768
Type:
Small organic molecule
Emp. Form.:
C24H27N5O5S2
Mol. Mass.:
529.632
SMILES:
CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O
Structure:
Search PDB for entries with ligand similarity: