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Target
Calpain-1 catalytic subunit
Ligand
BDBM50189827
Substrate
n/a
Meas. Tech.
ChEMBL_367107 (CHEMBL863671)
IC50
220±n/a nM
Citation
 Shirasaki, Y; Nakamura, M; Yamaguchi, M; Miyashita, H; Sakai, O; Inoue, J Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. J Med Chem 49:3926-32 (2006) [PubMed]  Article 
Target
Name:
Calpain-1 catalytic subunit
Synonyms:
CAN1_HUMAN | CANPL1 | CAPN1 | Calpain mu-type | Calpain-1 (u-Calpain) | Calpain1
Type:
Protein
Mol. Mass.:
81880.51
Organism:
Human
Description:
n/a
Residue:
714
Sequence:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEAFPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHSAEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILKALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGEVEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSRTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSEEEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50189827
Synonyms:
(2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amino)-4-methyl-N-((3S)-tetrahydro-2-hydroxy-3-furanyl)pentanamide | CHEMBL378465
Type:
Small organic molecule
Emp. Form.:
C18H27N3O4S
Mol. Mass.:
381.49
SMILES:
COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1
Structure:
Search PDB for entries with ligand similarity: