Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-7
LigandBDBM50119203
Substrate/Competitorn/a
Meas. Tech.ChEMBL_46846 (CHEMBL657313)
IC50 8870.0±n/a nM
Citation Linton, SDKaranewsky, DSTernansky, RJWu, JCPham, BKodandapani, LSmidt, RDiaz, JLFritz, LCTomaselli, KJ Acyl dipeptides as reversible caspase inhibitors. Part 1: initial lead optimization. Bioorg Med Chem Lett12:2969-71 (2002) [PubMed]
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:
BDBM50119203
n/a
NameBDBM50119203
Synonyms:(S)-4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide | 4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide | CHEMBL100405
TypeSmall organic molecule
Emp. Form.C22H26N2O6
Mol. Mass.414.4516
SMILESCC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: