Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 9
Ligand
BDBM50328800
Substrate
n/a
Meas. Tech.
ChEMBL_673773 (CHEMBL1274950)
Ki
>30000±n/a nM
Citation
 O'Connor, SP; Wang, Y; Simpkins, LM; Brigance, RP; Meng, W; Wang, A; Kirby, MS; Weigelt, CA; Hamann, LG Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors. Bioorg Med Chem Lett 20:6273-6 (2010) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 9
Synonyms:
DPP9 | DPP9_HUMAN | DPRP-2 | DPRP2 | Dipeptidyl peptidase 9 (DDP9) | Dipeptidyl peptidase 9 (DPP-9) | Dipeptidyl peptidase 9 (DPP9) | Dipeptidyl peptidase IV-related protein 2 | Dipeptidyl peptidase IX | Dipeptidyl peptidase IX (DDP-IX) | Dipeptidyl peptidase-like protein 9
Type:
Enzyme
Mol. Mass.:
98260.70
Organism:
Homo sapiens (Human)
Description:
Q86TI2
Residue:
863
Sequence:
MATTGTPTADRGDAAATDDPAARFQVQKHSWDGLRSIIHGSRKYSGLIVNKAPHDFQFVQKTDESGPHSHRLYYLGMPYGSRENSLLYSEIPKKVRKEALLLLSWKQMLDHFQATPHHGVYSREEELLRERKRLGVFGITSYDFHSESGLFLFQASNSLFHCRDGGKNGFMVSPMKPLEIKTQCSGPRMDPKICPADPAFFSFINNSDLWVANIETGEERRLTFCHQGLSNVLDDPKSAGVATFVIQEEFDRFTGYWWCPTASWEGSEGLKTLRILYEEVDESEVEVIHVPSPALEERKTDSYRYPRTGSKNPKIALKLAEFQTDSQGKIVSTQEKELVQPFSSLFPKVEYIARAGWTRDGKYAWAMFLDRPQQWLQLVLLPPALFIPSTENEEQRLASARAVPRNVQPYVVYEEVTNVWINVHDIFYPFPQSEGEDELCFLRANECKTGFCHLYKVTAVLKSQGYDWSEPFSPGEDEFKCPIKEEIALTSGEWEVLARHGSKIWVNEETKLVYFQGTKDTPLEHHLYVVSYEAAGEIVRLTTPGFSHSCSMSQNFDMFVSHYSSVSTPPCVHVYKLSGPDDDPLHKQPRFWASMMEAASCPPDYVPPEIFHFHTRSDVRLYGMIYKPHALQPGKKHPTVLFVYGGPQVQLVNNSFKGIKYLRLNTLASLGYAVVVIDGRGSCQRGLRFEGALKNQMGQVEIEDQVEGLQFVAEKYGFIDLSRVAIHGWSYGGFLSLMGLIHKPQVFKVAIAGAPVTVWMAYDTGYTERYMDVPENNQHGYEAGSVALHVEKLPNEPNRLLILHGFLDENVHFFHTNFLVSQLIRAGKPYQLQIYPNERHSIRCPESGEHYEVTLLHFLQEYL
  
Inhibitor
Name:
BDBM50328800
Synonyms:
(2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl)methanamine | CHEMBL1271270
Type:
Small organic molecule
Emp. Form.:
C21H17Cl3N4O
Mol. Mass.:
447.745
SMILES:
COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cc(Cl)cc1Cl |(24.28,-40,;25.05,-41.33,;24.28,-42.66,;22.74,-42.66,;21.96,-44,;22.74,-45.33,;24.28,-45.33,;25.04,-44,;26.58,-44,;27.48,-45.25,;28.94,-44.77,;30.28,-45.54,;31.62,-44.77,;32.95,-45.54,;34.28,-44.77,;31.61,-43.22,;32.94,-42.45,;30.28,-42.46,;28.95,-43.23,;27.48,-42.76,;30.28,-47.08,;28.94,-47.85,;27.61,-47.08,;28.94,-49.39,;30.28,-50.16,;30.28,-51.7,;31.62,-49.38,;31.61,-47.84,;32.94,-47.07,)|
Structure:
Search PDB for entries with ligand similarity: