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Target
Calpain-1 catalytic subunit
Ligand
BDBM50080225
Substrate
n/a
Meas. Tech.
ChEMBL_43861 (CHEMBL658521)
Ki
14±n/a nM
Citation
 Chatterjee, S; Dunn, D; Tao, M; Wells, G; Gu, ZQ; Bihovsky, R; Ator, MA; Siman, R; Mallamo, JP P2-achiral, P'-extended alpha-ketoamide inhibitors of calpain I. Bioorg Med Chem Lett 9:2371-4 (1999) [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:
BDBM50080225
Synonyms:
CHEMBL311512 | N-[(S)-2-(2-{5-[3-(Acetylamino-methyl)-phenyl]-thiophene-2-sulfonylamino}-ethylcarbamoyl)-1-benzyl-2-oxo-ethyl]-2,6-dichloro-benzamide
Type:
Small organic molecule
Emp. Form.:
C32H30Cl2N4O6S2
Mol. Mass.:
701.64
SMILES:
CC(=O)NCc1cccc(c1)-c1ccc(s1)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl
Structure:
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