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Target
Caspase-3
Ligand
BDBM10199
Substrate
Caspase-3 Fluorogenic Substrate
Meas. Tech.
Fluorometric Assay
Temperature
298.15±n/a K
Ki
100±n/a nM
Comments
extracted
Citation
 Allen, DA; Pham, P; Choong, IC; Fahr, B; Burdett, MT; Lew, W; DeLano, WL; Gordon, EM; Lam, JW; O'Brien, T; Lee, D Identification of potent and novel small-molecule inhibitors of caspase-3. Bioorg Med Chem Lett 13:3651-5 (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:
BDBM10199
Synonyms:
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-5-(thiophen-3-yl)pentyl)sulfamoyl]-2-hydroxybenzoic acid | sulfonamide analog 20
Type:
Small organic molecule
Emp. Form.:
C21H24N2O9S2
Mol. Mass.:
512.553
SMILES:
OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccsc1)C=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-3 Fluorogenic Substrate
Synonyms:
Caspase-3 Fluorogenic Substrate Ac-Asp-Glu-Val-Asp-AFC | Fluorometric Tetrapeptide Ac-DEVD-AMC
Type:
n/a
Mol. Mass.:
1477.75
Organism:
n/a
Description:
AFC = 7-Amino-4-trifluoromethylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAFC