Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCalpain 1/small subunit 1
LigandBDBM50179750
Substrate/Competitorn/a
Meas. Tech.ChEMBL_340807
IC50 4.9±n/a nM
Citation Auvin SPignol BNavet ETroadec MCarré DCamara JBigg DChabrier PE Novel dual inhibitors of calpain and lipid peroxidation with enhanced cellular activity. Bioorg Med Chem Lett 16:1586-9 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Calpain 1/small subunit 1
Name:Calpain 1/small subunit 1
Synonyms:Calpain 1
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 43671
Components:This complex has 2 components.
Component 1
Name:Calpain 1
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:28309.36
Organism:Homo sapiens (Human)
Description:EBI_12682
Residue:268
Sequence:
MFLVNSFLKGGGGGGGGGGGLGGGLGNVLGGLISGAGGGGGGGGGGGGGGGGGGGGTAMR
ILGGVISAISEAAAQYNPEPPPPRTHYSNIEANESEEVRQFRRLFAQLAGDDMEVSATEL
MNILNKVVTRHPDLKTDGFGIDTCRSMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQ
FDTDRSGTICSSELPGAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMF
RAFKSLDKDGTGQIQVNIQEWLQLTMYS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Calpain1/2
Synonyms:Calpain -type | Calpain-1 (u-Calpain) | Calpain-1 catalytic subunit
Type:Protein
Mol. Mass.:81880.51
Organism:Homo sapiens (Human)
Description:n/a
Residue:714
Sequence:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEA
FPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAA
IASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHS
AEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILK
ALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGE
VEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKS
RTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFV
LALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINL
REVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSE
EEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRD
GNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELII
TRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50179750
n/a
NameBDBM50179750
Synonyms:(S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpentanamido)-4-methylpentanoic acid | CHEMBL203568
TypeSmall organic molecule
Emp. Form.C20H30N2O5
Mol. Mass.378.4626
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: