Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-7
LigandBDBM50200932
Substrate/Competitorn/a
Meas. Tech.ChEMBL_423903
Ki 1200±n/a nM
Citation Henzing, AJDodson, HReid, JMKaufmann, SHBaxter, RLEarnshaw, WC Synthesis of novel caspase inhibitors for characterization of the active caspase proteome in vitro and in vivo. J Med Chem49:7636-45 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-7
Name:Caspase
Synonyms:Apoptotic protease Mch-3 | CASP-7 | CMH-1 | caspase 7, apoptosis-related cysteine peptidase
Type:Enzyme
Mol. Mass.:34273.91
Organism:Homo sapiens (human)
Description:P55210
Residue:303
Sequence:
MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSW
FVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELY
FSQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50200932
NameBDBM50200932
Synonyms:(3S)-3-[(2S)-6-(6-{5-[(3aS,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carboxybutanamido]hexanamido]-5-[(2,6-dimethylphenyl)carbonyloxy]-4-oxopentanoic acid | CHEMBL221870
TypeSmall organic molecule
Emp. Form.C49H67N7O14S
Mol. Mass.1010.16
SMILESCc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a