Target
Dipeptidyl peptidase 9
Ligand
BDBM50442187
Substrate
n/a
Meas. Tech.
ChEMBL_991616 (CHEMBL2444438)
Ki
3.3±n/a nM
Citation
 Devasthale, PWang, YWang, WFevig, JFeng, JWang, AHarrity, TEgan, DMorgan, NCap, MFura, AKlei, HEKish, KWeigelt, CSun, LLevesque, PMoulin, FLi, YXZahler, RKirby, MSHamann, LG Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem 56:7343-57 (2013) [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:
BDBM50442187
Synonyms:
CHEMBL2441951
Type:
Small organic molecule
Emp. Form.:
C18H18Cl2N4O2
Mol. Mass.:
393.267
SMILES:
CNC(=O)Cn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(25.56,-15,;24.02,-15.01,;23.25,-16.35,;21.71,-16.35,;24.03,-17.68,;25.57,-17.67,;26.48,-16.41,;27.95,-16.88,;29.28,-16.11,;30.61,-16.88,;31.95,-16.1,;30.62,-18.43,;31.96,-19.2,;33.29,-18.42,;29.29,-19.2,;29.28,-20.74,;27.95,-21.5,;27.94,-23.04,;29.27,-23.81,;29.27,-25.35,;30.61,-23.04,;30.61,-21.5,;31.94,-20.73,;27.96,-18.43,;26.49,-18.92,;26.02,-20.38,)|
Structure:
Search PDB for entries with ligand similarity: