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Target
Calpain-1 catalytic subunit
Ligand
BDBM50358145
Substrate
n/a
Meas. Tech.
ChEMBL_788734 (CHEMBL1924665)
IC50
42000±n/a nM
Citation
 Stuart, BG; Coxon, JM; Morton, JD; Abell, AD; McDonald, DQ; Aitken, SG; Jones, MA; Bickerstaffe, R Molecular modeling: a search for a calpain inhibitor as a new treatment for cataractogenesis. J Med Chem 54:7503-22 (2011) [PubMed]  Article 
Target
Name:
Calpain-1 catalytic subunit
Synonyms:
CAN1_RAT | Calpain 1 | Capn1 | Cls1
Type:
PROTEIN
Mol. Mass.:
82108.68
Organism:
Rattus norvegicus
Description:
ChEMBL_788734
Residue:
713
Sequence:
MAEELITPVYCTGVSAQVQKQRDKELGLGRHENAIKYLGQDYENLRARCLQNGVLFQDDAFPPVSHSLGFKELGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNETILHRVVPYGQSFQEGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHSAQGNEFWSALLEKAYAKVNGSYEALSGGCTSEAFEDFTGGVTEWYDLQKAPSDLYQIILKALERGSLLGCSINISDIRDLEAITFKNLVRGHAYSVTDAKQVTYQGQRVNLIRMRNPWGEVEWKGPWSDNSYEWNKVDPYEREQLRVKMEDGEFWMSFRDFIREFTKLEICNLTPDALKSRTLRNWNTTFYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLEEVDDADDYDSRESGCSFLLALMQKHRRRERRFGRDMETIGFAVYQVPRELAGQPVHLKRDFFLANASRAQSEHFINLREVSNRIRLPPGEYIVVPSTFEPNKEGDFLLRFFSEKKAGTQELDDQIQANLPDEKVLSEEEIDDNFKTLFSKLAGDDMEISVKELQTILNRIISKHKDLRTNGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLTIFRKFDLDKSGSMSAYEMRMAIEAAGFKLNKKLHELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKILDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50358145
Synonyms:
CHEMBL1923968
Type:
Small organic molecule
Emp. Form.:
C17H25FN2O4S
Mol. Mass.:
372.455
SMILES:
CC(C)C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r|
Structure:
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