Reaction Details Report a problem with these data
Target
Insulin-degrading enzyme
Ligand
BDBM50427697
Substrate
n/a
Meas. Tech.
ChEMBL_941898 (CHEMBL2329964)
Ki
246±n/a nM
Citation
 Abdul-Hay, SO; Lane, AL; Caulfield, TR; Claussin, C; Bertrand, J; Masson, A; Choudhry, S; Fauq, AH; Maharvi, GM; Leissring, MA Optimization of peptide hydroxamate inhibitors of insulin-degrading enzyme reveals marked substrate-selectivity. J Med Chem 56:2246-55 (2013) [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:
BDBM50427697
Synonyms:
CHEMBL2324207
Type:
Small organic molecule
Emp. Form.:
C66H85N19O13
Mol. Mass.:
1352.5006
SMILES:
CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(O)=O)NC(=O)CC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO |r,wU:8.8,39.56,71.75,wD:29.31,19.20,4.3,2.2,43.45,57.59,82.86,(26.91,-23.81,;25.59,-23.02,;25.62,-21.49,;26.96,-20.73,;24.29,-20.69,;24.33,-19.15,;25.67,-18.41,;26.99,-19.19,;25.69,-16.86,;24.37,-16.07,;23.02,-16.83,;21.71,-16.03,;20.37,-16.78,;20.34,-18.32,;21.66,-19.11,;23,-18.36,;27.04,-16.12,;28.35,-16.9,;28.34,-18.45,;29.7,-16.16,;31.02,-16.95,;32.36,-16.2,;33.6,-17.12,;34.86,-16.23,;34.4,-14.77,;32.94,-14.55,;29.73,-14.62,;28.4,-13.82,;27.06,-14.58,;28.43,-12.29,;29.77,-11.54,;29.8,-10,;31.15,-9.25,;28.48,-9.21,;27.11,-11.5,;16.32,-19.03,;15,-18.24,;16.3,-20.57,;17.62,-21.36,;17.6,-22.9,;18.91,-23.69,;20.27,-22.94,;20.28,-21.4,;21.58,-23.73,;21.56,-25.27,;20.22,-26.02,;20.19,-27.56,;18.85,-28.31,;18.83,-29.84,;20.14,-30.63,;17.47,-30.59,;22.93,-22.98,;22.95,-21.44,;21.63,-20.65,;16.25,-23.65,;16.23,-25.19,;14.93,-22.86,;13.59,-23.6,;13.6,-25.16,;12.25,-25.91,;10.87,-25.31,;9.83,-26.44,;10.57,-27.78,;10.08,-29.24,;11.09,-30.39,;12.6,-30.1,;13.11,-28.64,;12.09,-27.48,;12.26,-22.81,;12.28,-21.28,;10.92,-23.57,;9.6,-22.77,;9.63,-21.23,;8.3,-20.44,;8.33,-18.9,;7.01,-18.11,;7.03,-16.58,;8.37,-15.83,;5.7,-15.78,;8.25,-23.52,;8.23,-25.06,;6.93,-22.73,;5.59,-23.48,;5.57,-25.02,;4.22,-25.77,;2.91,-24.98,;1.55,-25.73,;1.53,-27.27,;.19,-28.02,;.16,-29.56,;1.48,-30.34,;2.84,-29.6,;2.86,-28.05,;4.2,-27.31,;4.26,-22.69,;4.29,-21.15,;2.92,-23.44,;1.6,-22.65,)|
Structure:
Search PDB for entries with ligand similarity: