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Target
Calpain-1 catalytic subunit
Ligand
BDBM50114340
Substrate
n/a
Meas. Tech.
ChEMBL_788734 (CHEMBL1924665)
IC50
7.5±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:
BDBM50114340
Synonyms:
(S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-formyl-3-methyl-butyl)-3-methyl-butyramide | (S)-2-(4-fluorophenylsulfonamido)-3-methyl-N-((S)-4-methyl-1-oxopentan-2-yl)butanamide | CHEMBL288365 | N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal | SJA-6017
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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