Reaction Details  Report a problem with these data
Target
Insulin-degrading enzyme
Ligand
BDBM50514415
Substrate
n/a
Meas. Tech.
ChEMBL_1856590 (CHEMBL4357319)
IC50
56±n/a nM
Citation
 Bosc, D; Camberlein, V; Gealageas, R; Castillo-Aguilera, O; Deprez, B; Deprez-Poulain, R Kinetic Target-Guided Synthesis: Reaching the Age of Maturity. J Med Chem 63:3817-3833 (2020) [PubMed]  Article
Target
Name:
Insulin-degrading enzyme
Synonyms:
Abeta-degrading protease | Human Insulin Degrading Enzyme (hIDE) | IDE | IDE_HUMAN | Insulin degrading enzyme (hIDE) | Insulin protease | Insulin-degrading enzyme | Insulinase | Insulysin | insulin-degrading enzyme isoform 1 precursor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
117968.59
Organism:
Homo sapiens (Human)
Description:
P14735
Residue:
1019
Sequence:
MRYRLAWLLHPALPSTFRSVLGARLPPPERLCGFQKKTYSKMNNPAIKRIGNHITKSPEDKREYRGLELANGIKVLLISDPTTDKSSAALDVHIGSLSDPPNIAGLSHFCEHMLFLGTKKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLEGALDRFAQFFLCPLFDESCKDREVNAVDSEHEKNVMNDAWRLFQLEKATGNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSAYYSSNLMAVCVLGRESLDDLTNLVVKLFSEVENKNVPLPEFPEHPFQEEHLKQLYKIVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGHEGPGSLLSELKSKGWVNTLVGGQKEGARGFMFFIINVDLTEEGLLHVEDIILHMFQYIQKLRAEGPQEWVFQECKDLNAVAFRFKDKERPRGYTSKIAGILHYYPLEEVLTAEYLLEEFRPDLIEMVLDKLRPENVRVAIVSKSFEGKTDRTEEWYGTQYKQEAIPDEVIKKWQNADLNGKFKLPTKNEFIPTNFEILPLEKEATPYPALIKDTAMSKLWFKQDDKFFLPKACLNFEFFSPFAYVDPLHCNMAYLYLELLKDSLNEYAYAAELAGLSYDLQNTIYGMYLSVKGYNDKQPILLKKIIEKMATFEIDEKRFEIIKEAYMRSLNNFRAEQPHQHAMYYLRLLMTEVAWTKDELKEALDDVTLPRLKAFIPQLLSRLHIEALLHGNITKQAALGIMQMVEDTLIEHAHTKPLLPSQLVRYREVQLPDRGWFVYQQRNEVHNNCGIEIYYQTDMQSTSENMFLELFCQIISEPCFNTLRTKEQLGYIVFSGPRRANGIQGLRFIIQSEKPPHYLESRVEAFLITMEKSIEDMTEEAFQKHIQALAIRRLDKPKKLSAECAKYWGEIISQQYNFDRDNTEVAYLKTLTKEDIIKFYKEMLAVDAPRRHKVSVHVLAREMDSCPVVGEFPCQNDINLSQAPALPQPEVIQNMTEFKRGLPLFPLVKPHINFMAAKL
  
Inhibitor
Name:
BDBM50514415
Synonyms:
CHEMBL4527561
Type:
Small organic molecule
Emp. Form.:
C24H24FN5O3
Mol. Mass.:
449.4775
SMILES:
ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)N1NNC(CNC(=O)c2ccc(F)cc2)=C1 |r,c:34|
Structure:
Search PDB for entries with ligand similarity: