Reaction Details Report a problem with these data
Target
Calpain small subunit 1/1 catalytic subunit
Ligand
BDBM50179747
Substrate
n/a
Meas. Tech.
ChEMBL_340807 (CHEMBL867681)
IC50
38±n/a nM
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 Lett 16:1586-9 (2006) [PubMed]  Article 
Target
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:
MFLVNSFLKGGGGGGGGGGGLGGGLGNVLGGLISGAGGGGGGGGGGGGGGGGGGGGTAMRILGGVISAISEAAAQYNPEPPPPRTHYSNIEANESEEVRQFRRLFAQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTCRSMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQFDTDRSGTICSSELPGAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMFRAFKSLDKDGTGQIQVNIQEWLQLTMYS
  
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:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEAFPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHSAEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILKALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGEVEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSRTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSEEEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50179747
Synonyms:
(S)-2-((2S,3S)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-3-hydroxybutanamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide | CHEMBL201990
Type:
Small organic molecule
Emp. Form.:
C28H36N4O7S
Mol. Mass.:
572.673
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)O)C(=O)N[C@H]1CCOC1O
Structure:
Search PDB for entries with ligand similarity: