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Target
Caspase-3
Ligand
BDBM50326097
Substrate
n/a
Meas. Tech.
ChEMBL_659717 (CHEMBL1246139)
IC50
28800±n/a nM
Citation
 Newton, AS; Glória, PM; Gonçalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem 45:3858-63 (2010) [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:
BDBM50326097
Synonyms:
(S)-3-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanamido)-5-(methylsulfonyl)pent-4-enoic acid | CHEMBL1242886
Type:
Small organic molecule
Emp. Form.:
C26H30N2O7S
Mol. Mass.:
514.591
SMILES:
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:31.34|
Structure:
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