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Target
Dipeptidyl peptidase 8
Ligand
BDBM50394249
Substrate
n/a
Meas. Tech.
ChEMBL_856734 (CHEMBL2162560)
IC50
>10000±n/a nM
Citation
 Lam, B; Zhang, Z; Stafford, JA; Skene, RJ; Shi, L; Gwaltney, SL Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett 22:6628-31 (2012) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 8
Synonyms:
DPP8 | DPP8_HUMAN | DPRP-1 | DPRP1 | Dipeptidyl peptidase 8 (DPP-8) | Dipeptidyl peptidase 8 (DPP8) | Dipeptidyl peptidase 8/9 | Dipeptidyl peptidase IV-related protein 1 | Dipeptidyl peptidase VIII | Dipeptidyl peptidase VIII (DDP-VIII) | Prolyl dipeptidase DPP8
Type:
Enzyme
Mol. Mass.:
103342.62
Organism:
Homo sapiens (Human)
Description:
Q6V1X1
Residue:
898
Sequence:
MWKRSEQMKIKSGKCNMAAAMETEQLGVEIFETADCEENIESQDRPKLEPFYVERYSWSQLKKLLADTRKYHGYMMAKAPHDFMFVKRNDPDGPHSDRIYYLAMSGENRENTLFYSEIPKTINRAAVLMLSWKPLLDLFQATLDYGMYSREEELLRERKRIGTVGIASYDYHQGSGTFLFQAGSGIYHVKDGGPQGFTQQPLRPNLVETSCPNIRMDPKLCPADPDWIAFIHSNDIWISNIVTREERRLTYVHNELANMEEDARSAGVATFVLQEEFDRYSGYWWCPKAETTPSGGKILRILYEENDESEVEIIHVTSPMLETRRADSFRYPKTGTANPKVTFKMSEIMIDAEGRIIDVIDKELIQPFEILFEGVEYIARAGWTPEGKYAWSILLDRSQTRLQIVLISPELFIPVEDDVMERQRLIESVPDSVTPLIIYEETTDIWINIHDIFHVFPQSHEEEIEFIFASECKTGFRHLYKITSILKESKYKRSSGGLPAPSDFKCPIKEEIAITSGEWEVLGRHGSNIQVDEVRRLVYFEGTKDSPLEHHLYVVSYVNPGEVTRLTDRGYSHSCCISQHCDFFISKYSNQKNPHCVSLYKLSSPEDDPTCKTKEFWATILDSAGPLPDYTPPEIFSFESTTGFTLYGMLYKPHDLQPGKKYPTVLFIYGGPQVQLVNNRFKGVKYFRLNTLASLGYVVVVIDNRGSCHRGLKFEGAFKYKMGQIEIDDQVEGLQYLASRYDFIDLDRVGIHGWSYGGYLSLMALMQRSDIFRVAIAGAPVTLWIFYDTGYTERYMGHPDQNEQGYYLGSVAMQAEKFPSEPNRLLLLHGFLDENVHFAHTSILLSFLVRAGKPYDLQIYPQERHSIRVPESGEHYELHLLHYLQENLGSRIAALKVI
  
Inhibitor
Name:
BDBM50394249
Synonyms:
CHEMBL2159194
Type:
Small organic molecule
Emp. Form.:
C21H24BrFN6O2
Mol. Mass.:
491.357
SMILES:
CN1CCN(CC1)c1nc2n(C)c(=O)n(C)c(=O)c2c(c1CN)-c1cc(F)ccc1Br |(40.99,-20.35,;39.66,-19.58,;38.32,-20.34,;36.99,-19.58,;37,-18.04,;38.32,-17.26,;39.65,-18.03,;35.66,-17.27,;34.32,-18.05,;32.99,-17.28,;31.67,-18.05,;31.66,-19.59,;30.34,-17.27,;29.01,-18.04,;30.35,-15.74,;29.02,-14.97,;31.68,-14.98,;31.68,-13.44,;32.99,-15.75,;34.33,-14.97,;35.66,-15.74,;36.99,-14.96,;38.32,-15.73,;34.32,-13.44,;32.99,-12.67,;32.99,-11.12,;31.66,-10.35,;34.32,-10.35,;35.65,-11.12,;35.66,-12.67,;37,-13.43,)|
Structure:
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