Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-3
LigandBDBM50203361
Substrate/Competitorn/a
Meas. Tech.ChEMBL_454170 (CHEMBL903359)
IC50 5±n/a nM
Citation Isabel, EAspiotis, RBlack, WCColucci, JFortin, RGiroux, AGrimm, ELHan, YMellon, CNicholson, DWRasper, DMRenaud, JRoy, STam, JTawa, PVaillancourt, JPXanthoudakis, SZamboni, RJ Solid-phase analogue synthesis of caspase-3 inhibitors via palladium-catalyzed amination of 3-bromopyrazinones. Bioorg Med Chem Lett17:1671-4 (2007) [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:
BDBM50203361
n/a
NameBDBM50203361
Synonyms:(3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid | CHEMBL248508
TypeSmall organic molecule
Emp. Form.C26H34N8O5
Mol. Mass.538.5988
SMILESCCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: