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Target
Caspase-3
Ligand
BDBM10570
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
250±n/a nM
Citation
 Isabel, E; Black, WC; Bayly, CI; Grimm, EL; Janes, MK; McKay, DJ; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Nicotinyl aspartyl ketones as inhibitors of caspase-3. Bioorg Med Chem Lett 13:2137-40 (2003) [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:
BDBM10570
Synonyms:
(3S)-3-({5-[ethyl(propan-2-yl)carbamoyl]pyridin-3-yl}formamido)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-oxopentanoic acid | nicotinyl aspartyl ketone 22
Type:
Small organic molecule
Emp. Form.:
C24H28FN3O5S
Mol. Mass.:
489.56
SMILES:
CCN(C(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase Fluorogenic Substrate
Synonyms:
Ac-DEVD-AMC | Caspase Fluorogenic Substrate
Type:
Peptide
Mol. Mass.:
1461.77
Organism:
n/a
Description:
AMC=7-Amino-4-methylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAMC