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Target
Caspase-3
Ligand
BDBM50160976
Substrate
n/a
Meas. Tech.
ChEMBL_454170 (CHEMBL903359)
IC50
14±n/a nM
Citation
Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Solid-phase analogue synthesis of caspase-3 inhibitors via palladium-catalyzed amination of 3-bromopyrazinones. Bioorg Med Chem Lett 17:1671-4 (2007) [PubMed] Article
More Info.:
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:
BDBM50160976
Synonyms:
(3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiazol-3-yl)methylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid | (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-7-phenyl-heptanoic acid | CHEMBL180623
Type:
Small organic molecule
Emp. Form.:
C29H38N6O6
Mol. Mass.:
566.6486
SMILES:
CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C