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Target
Caspase-3
Ligand
BDBM50326100
Substrate
n/a
Meas. Tech.
ChEMBL_749585 (CHEMBL1787194)
IC50
16200±n/a nM
Citation
 Glória, PM; Coutinho, I; Gonçalves, LM; Baptista, C; Soares, J; Newton, AS; Moreira, R; Saraiva, L; Santos, MM Aspartic vinyl sulfones: inhibitors of a caspase-3-dependent pathway. Eur J Med Chem 46:2141-6 (2011) [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:
BDBM50326100
Synonyms:
(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-(phenylsulfonyl)pent-4-enoic acid | CHEMBL1242421
Type:
Small organic molecule
Emp. Form.:
C26H23NO6S
Mol. Mass.:
477.529
SMILES:
OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C=CS(=O)(=O)c1ccccc1 |r,w:24.27|
Structure:
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