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Target
Caspase-3
Ligand
BDBM50355098
Substrate
n/a
Meas. Tech.
ChEMBL_773167 (CHEMBL1838643)
IC50
289±n/a nM
Citation
 Maillard, MC; Brookfield, FA; Courtney, SM; Eustache, FM; Gemkow, MJ; Handel, RK; Johnson, LC; Johnson, PD; Kerry, MA; Krieger, F; Meniconi, M; Muñoz-Sanjuán, I; Palfrey, JJ; Park, H; Schaertl, S; Taylor, MG; Weddell, D; Dominguez, C Exploiting differences in caspase-2 and -3 S2 subsites for selectivity: structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg Med Chem 19:5833-51 (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:
BDBM50355098
Synonyms:
CHEMBL1835321
Type:
Small organic molecule
Emp. Form.:
C29H39N5O10
Mol. Mass.:
617.6475
SMILES:
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O |r|
Structure:
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