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Target
Calpain-1 catalytic subunit
Ligand
BDBM50140548
Substrate
n/a
Meas. Tech.
ChEBML_43499
IC50
120±n/a nM
Citation
 Wang, Y; Huang, JC; Zhou, ZL; Yang, W; Guastella, J; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase-3 inhibitors: SAR of the P2 amino acid. Bioorg Med Chem Lett 14:1269-72 (2004) [PubMed]  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:
BDBM50140548
Synonyms:
3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-5-fluoro-4-oxo-pentanoic acid methyl ester | CHEMBL23453 | acs.jmedchem.1c00409_ST.196
Type:
Small organic molecule
Emp. Form.:
C19H25FN2O6
Mol. Mass.:
396.41
SMILES:
COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
Structure:
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