Reaction Details Report a problem with these data
Target
Calpain-1 catalytic subunit
Ligand
BDBM50291197
Substrate
n/a
Meas. Tech.
ChEBML_43860
IC50
11±n/a nM
Citation
 Iqbal, M; Messina, PA; Freed, B; Das, M; Chatterjee, S; Tripathy, R; Tao, M; Josef, KA; Dembofsky, B; Dunn, D; Griffith, E; Siman, R; Senadhi, SE; Biazzo, W; Bozyczko-Coyne, D; Meyer, SL; Ator, MA; Bihovsky, R Subsite requirements for peptide aldehyde inhibitors of human calpain I Bioorg Med Chem Lett 7:539-544 (1997)    Article 
Target
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:
BDBM50291197
Synonyms:
CHEMBL149754 | [(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-carbamic acid 9H-fluoren-9-ylmethyl ester
Type:
Small organic molecule
Emp. Form.:
C27H34N2O4
Mol. Mass.:
450.5699
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc12)C=O
Structure:
Search PDB for entries with ligand similarity: