Target
Calpain small subunit 1/1 catalytic subunit
Ligand
BDBM50042396
Substrate
n/a
Meas. Tech.
ChEMBL_43671 (CHEMBL656204)
Ki
80±n/a nM
Citation
 Li, ZPatil, GSGolubski, ZEHori, HTehrani, KForeman, JEEveleth, DDBartus, RTPowers, JC Peptide alpha-keto ester, alpha-keto amide, and alpha-keto acid inhibitors of calpains and other cysteine proteases. J Med Chem 36:3472-80 (1993) [PubMed]  Article 
Target
Name:
Calpain small subunit 1/1 catalytic subunit
Synonyms:
Calpain 1 | Calpain 1/small subunit 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 small subunit 1
Synonyms:
CAPN4 | CAPNS | CAPNS1 | CPNS1_HUMAN | Calpain 1
Type:
PROTEIN
Mol. Mass.:
28309.36
Organism:
Homo sapiens (Human)
Description:
EBI_12682
Residue:
268
Sequence:
MFLVNSFLKGGGGGGGGGGGLGGGLGNVLGGLISGAGGGGGGGGGGGGGGGGGGGGTAMRILGGVISAISEAAAQYNPEPPPPRTHYSNIEANESEEVRQFRRLFAQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTCRSMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQFDTDRSGTICSSELPGAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMFRAFKSLDKDGTGQIQVNIQEWLQLTMYS
  
Component 2
Name:
Calpain-1 catalytic subunit
Synonyms:
CAN1_HUMAN | CANPL1 | CAPN1 | Calpain ยต-type | Calpain-1 (u-Calpain) | Calpain-1 catalytic subunit | Calpain1
Type:
Protein
Mol. Mass.:
81880.51
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
714
Sequence:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEAFPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHSAEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILKALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGEVEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSRTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSEEEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50042396
Synonyms:
CHEMBL441280 | [1-(1-Benzyl-2-isobutylcarbamoyl-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C28H37N3O5
Mol. Mass.:
495.6105
SMILES:
CC(C)CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: