Reaction Details |
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Target | Calpain-1 catalytic subunit |
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Ligand | BDBM50114340 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_788734 (CHEMBL1924665) |
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IC50 | 7.5±n/a nM |
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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 Chem54:7503-22 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Calpain-1 catalytic subunit |
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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: | MAEELITPVYCTGVSAQVQKQRDKELGLGRHENAIKYLGQDYENLRARCLQNGVLFQDDA
FPPVSHSLGFKELGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAA
IASLTLNETILHRVVPYGQSFQEGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHS
AQGNEFWSALLEKAYAKVNGSYEALSGGCTSEAFEDFTGGVTEWYDLQKAPSDLYQIILK
ALERGSLLGCSINISDIRDLEAITFKNLVRGHAYSVTDAKQVTYQGQRVNLIRMRNPWGE
VEWKGPWSDNSYEWNKVDPYEREQLRVKMEDGEFWMSFRDFIREFTKLEICNLTPDALKS
RTLRNWNTTFYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLEEVDDADDYDSRESGCSFL
LALMQKHRRRERRFGRDMETIGFAVYQVPRELAGQPVHLKRDFFLANASRAQSEHFINLR
EVSNRIRLPPGEYIVVPSTFEPNKEGDFLLRFFSEKKAGTQELDDQIQANLPDEKVLSEE
EIDDNFKTLFSKLAGDDMEISVKELQTILNRIISKHKDLRTNGFSLESCRSMVNLMDRDG
NGKLGLVEFNILWNRIRNYLTIFRKFDLDKSGSMSAYEMRMAIEAAGFKLNKKLHELIIT
RYSEPDLAVDFDNFVCCLVRLETMFRFFKILDTDLDGVVTFDLFKWLQLTMFA
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BDBM50114340 |
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n/a |
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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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