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Target
Dipeptidyl peptidase 9
Ligand
BDBM50442200
Substrate
n/a
Meas. Tech.
ChEMBL_991616 (CHEMBL2444438)
Ki
2.3±n/a nM
Citation
 Devasthale, P; Wang, Y; Wang, W; Fevig, J; Feng, J; Wang, A; Harrity, T; Egan, D; Morgan, N; Cap, M; Fura, A; Klei, HE; Kish, K; Weigelt, C; Sun, L; Levesque, P; Moulin, F; Li, YX; Zahler, R; Kirby, MS; Hamann, 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:
BDBM50442200
Synonyms:
CHEMBL2441837
Type:
Small organic molecule
Emp. Form.:
C19H21Cl2N3O2
Mol. Mass.:
394.295
SMILES:
COC[C@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |r,wU:3.3,(49.23,-29.16,;50.01,-30.49,;51.55,-30.48,;52.33,-31.81,;51.56,-33.15,;53.87,-31.8,;54.77,-30.54,;56.25,-31.01,;57.57,-30.25,;58.91,-31.01,;60.24,-30.24,;58.91,-32.56,;60.25,-33.33,;61.58,-32.55,;57.58,-33.33,;57.58,-34.87,;56.24,-35.63,;56.24,-37.17,;57.57,-37.95,;57.57,-39.49,;58.91,-37.17,;58.91,-35.64,;60.24,-34.86,;56.25,-32.56,;54.78,-33.05,;54.31,-34.52,)|
Structure:
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