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Target
Caspase-3
Ligand
BDBM10246
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
3.1±0.2 nM
Citation
 Kravchenko, DV; Kuzovkova, YA; Kysil, VM; Tkachenko, SE; Maliarchouk, S; Okun, IM; Balakin, KV; Ivachtchenko, AV Synthesis and structure-activity relationship of 4-substituted 2-(2-acetyloxyethyl)-8-(morpholine-4-sulfonyl)pyrrolo[3,4-c]quinoline-1,3-diones as potent caspase-3 inhibitors. J Med Chem 48:3680-3 (2005) [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:
BDBM10246
Synonyms:
(4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid | Ac-DEVD-CHO | CHEMBL417149
Type:
Small organic molecule
Emp. Form.:
C20H30N4O11
Mol. Mass.:
502.4724
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |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