Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-3
LigandBDBM50070499
Substrate/Competitorn/a
Meas. Tech.ChEMBL_46652 (CHEMBL658906)
IC50 438±n/a nM
Citation Bajusz, SFauszt, INémeth, KBarabás, EJuhász, APatthy, M Peptidyl beta-homo-aspartals: specific inhibitors of interleukin-1 beta converting enzyme and its homologues (caspases). Bioorg Med Chem Lett8:1477-82 (1999) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Caspase-3
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:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50070499
n/a
NameBDBM50070499
Synonyms:(R)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3-methyl-butyrylamino}-5-oxo-pentanoic acid | CHEMBL285638
TypeSmall organic molecule
Emp. Form.C21H32N4O11
Mol. Mass.516.499
SMILESCC(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)CC(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: