Reaction Details |
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Target | Calpain small subunit 1/1 catalytic subunit |
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Ligand | BDBM50179744 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_340807 (CHEMBL867681) |
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IC50 | 55.4±n/a nM |
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Citation | Auvin, S; Pignol, B; Navet, E; Troadec, M; Carré, D; Camara, J; Bigg, D; Chabrier, PE Novel dual inhibitors of calpain and lipid peroxidation with enhanced cellular activity. Bioorg Med Chem Lett16:1586-9 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Calpain small subunit 1/1 catalytic subunit |
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Name: | Calpain small subunit 1/1 catalytic subunit |
Synonyms: | Calpain 1 | Calpain 1/small subunit 1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 43671 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Calpain small subunit 1 |
Synonyms: | CAPN4 | CAPNS | CAPNS1 | CPNS1_HUMAN | Calpain 1 |
Type: | PROTEIN |
Mol. Mass.: | 28309.36 |
Organism: | Homo sapiens (Human) |
Description: | EBI_12682 |
Residue: | 268 |
Sequence: | MFLVNSFLKGGGGGGGGGGGLGGGLGNVLGGLISGAGGGGGGGGGGGGGGGGGGGGTAMR
ILGGVISAISEAAAQYNPEPPPPRTHYSNIEANESEEVRQFRRLFAQLAGDDMEVSATEL
MNILNKVVTRHPDLKTDGFGIDTCRSMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQ
FDTDRSGTICSSELPGAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMF
RAFKSLDKDGTGQIQVNIQEWLQLTMYS
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Component 2 |
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: | MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEA
FPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAA
IASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHS
AEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILK
ALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGE
VEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKS
RTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFV
LALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINL
REVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSE
EEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRD
GNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELII
TRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
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BDBM50179744 |
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n/a |
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Name | BDBM50179744 |
Synonyms: | (S)-4-Methyl-2-[(S)-4-methyl-2-(2-10H-phenothiazin-2-yl-acetylamino)-p entanoylamino]-pentanoic acid ((S)-2-hydroxy-tetrahydro-furan-3-yl)-amide | CHEMBL206235 |
Type | Small organic molecule |
Emp. Form. | C30H40N4O5S |
Mol. Mass. | 568.727 |
SMILES | CC(C)C[C@H](NC(=O)Cc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O |
Structure |
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