Reaction Details Report a problem with these data
Target
Calpain-2 catalytic subunit
Ligand
BDBM50169087
Substrate
n/a
Meas. Tech.
ChEMBL_1577853 (CHEMBL3808087)
Ki
2983±n/a nM
Citation
 Wilson, DL; Meininger, I; Strater, Z; Steiner, S; Tomlin, F; Wu, J; Jamali, H; Krappmann, D; Götz, MG Synthesis and Evaluation of Macrocyclic Peptide Aldehydes as Potent and Selective Inhibitors of the 20S Proteasome. ACS Med Chem Lett 7:250-5 (2016) [PubMed]  Article 
Target
Name:
Calpain-2 catalytic subunit
Synonyms:
CAN2_HUMAN | CANP 2 | CANPL2 | CAPN2 | Calcium-activated neutral proteinase 2 | Calpain 2 | Calpain M-type | Calpain large polypeptide L2 | Calpain-2 (m-Calpain) | Calpain-2 catalytic subunit | Calpain-2 large subunit | Calpain1/2 | M-calpain | Millimolar-calpain | calpain
Type:
Protein
Mol. Mass.:
79965.18
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
700
Sequence:
MAGIAAKLAKDREAAEGLGSHDRAIKYLNQDYEALRNECLEAGTLFQDPSFPAIPSALGFKELGPYSSKTRGIEWKRPTEICADPQFIIGGATRTDICQGALGDCWLLAAIASLTLNEEILARVVPLNQSFQENYAGIFHFQFWQYGEWVEVVVDDRLPTKDGELLFVHSAEGSEFWSALLEKAYAKINGCYEALSGGATTEGFEDFTGGIAEWYELKKPPPNLFKIIQKALQKGSLLGCSIDITSAADSEAITFQKLVKGHAYSVTGAEEVESNGSLQKLIRIRNPWGEVEWTGRWNDNCPSWNTIDPEERERLTRRHEDGEFWMSFSDFLRHYSRLEICNLTPDTLTSDTYKKWKLTKMDGNWRRGSTAGGCRNYPNTFWMNPQYLIKLEEEDEDEEDGESGCTFLVGLIQKHRRRQRKMGEDMHTIGFGIYEVPEELSGQTNIHLSKNFFLTNRARERSDTFINLREVLNRFKLPPGEYILVPSTFEPNKDGDFCIRVFSEKKADYQAVDDEIEANLEEFDISEDDIDDGFRRLFAQLAGEDAEISAFELQTILRRVLAKRQDIKSDGFSIETCKIMVDMLDSDGSGKLGLKEFYILWTKIQKYQKIYREIDVDRSGTMNSYEMRKALEEAGFKMPCQLHQVIVARFADDQLIIDFDNFVRCLVRLETLFKIFKQLDPENTGTIELDLISWLCFSVL
  
Inhibitor
Name:
BDBM50169087
Synonyms:
CHEMBL3805992
Type:
Small organic molecule
Emp. Form.:
C42H45N5O10
Mol. Mass.:
779.8342
SMILES:
COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: