Reaction Details |
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Target | Calpain-1 catalytic subunit |
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Ligand | BDBM50437949 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_972847 (CHEMBL2411624) |
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Ki | 3530±n/a nM |
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Citation | Schiefer, IT; Tapadar, S; Litosh, V; Siklos, M; Scism, R; Wijewickrama, GT; Chandrasena, EP; Sinha, V; Tavassoli, E; Brunsteiner, M; Fa', M; Arancio, O; Petukhov, P; Thatcher, GR Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors. J Med Chem56:6054-68 (2013) [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_PIG | CANP 1 | CAPN1 | Calcium-activated neutral proteinase 1 | Calpain 1 | Calpain mu-type | Calpain-1 | Calpain-1 catalytic subunit | Calpain-1 large subunit | Micromolar-calpain | muCANP |
Type: | Catalytic subunit; forms a heterodimer with a small (regulatory) subunit (CAPNS1) |
Mol. Mass.: | 81729.82 |
Organism: | Sus scrofa (pig) |
Description: | Native calpain-1 from porcine erythrocytes, purchased from Calbiochem, was used in assay. |
Residue: | 714 |
Sequence: | MAEEVITPVYCTGVSAQVQKLRAKELGLGRHENAIKYLGQDYEQLRAHCLQSGSLFRDEA
FPPVPQSLGFKELGPNSSKTYGVKWKRPTELFSNPQFIVDGATRTDICQGALGDCWLLAA
IASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHS
AQGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYSIILK
ALERGSLLGCSIDISSVLDMEAVTFKKLVKGHAYSVTGAKQVNYQGQMVNLIRMRNPWGE
VEWTGAWSDGSSEWNGVDPYQRDQLRVRMEDGEFWMSFRDFLREFTRLEICNLTPDALKS
QRVRNWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLEETDDPEDDYGGRESGCSF
VLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPVHLKRDFFLANASRARSEQFINL
REVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKKAGTQELDDQVQAILPDEQVLSE
EEIDENFKALFRQLAGEDMEISVRELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRD
GNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLFELII
TRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
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BDBM50437949 |
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n/a |
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Name | BDBM50437949 |
Synonyms: | CHEMBL2408918 | US9403843, 34 |
Type | Small organic molecule |
Emp. Form. | C21H16N4O5S2 |
Mol. Mass. | 468.506 |
SMILES | OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r| |
Structure |
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