Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-7
LigandBDBM50160951
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305652 (CHEMBL829510)
IC50 0.840000±n/a nM
Citation Han, YGiroux, AColucci, JBayly, CIMckay, DJRoy, SXanthoudakis, SVaillancourt, JRasper, DMTam, JTawa, PNicholson, DWZamboni, RJ Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett15:1173-80 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-7
Name:Caspase-7
Synonyms:Apoptotic protease Mch-3 | CASP-7 | CASP7 | CASP7_HUMAN | CMH-1 | Caspase | MCH3 | 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:
BDBM50160951
n/a
NameBDBM50160951
Synonyms:(S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid | CHEMBL441118
TypeSmall organic molecule
Emp. Form.C30H40N8O6
Mol. Mass.608.6886
SMILESCCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: