Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 9
Ligand
BDBM50442182
Substrate
n/a
Meas. Tech.
ChEMBL_991616 (CHEMBL2444438)
Ki
3.4±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
More Info.:
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:
BDBM50442182
Synonyms:
CHEMBL2441828
Type:
Small organic molecule
Emp. Form.:
C21H17Cl2N3O
Mol. Mass.:
398.285
SMILES:
Cc1[nH]c2cn(-c3ccccc3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(9.71,-1.99,;8.38,-2.77,;7.04,-2.01,;5.71,-2.77,;4.24,-2.3,;3.34,-3.56,;1.8,-3.57,;1.02,-2.24,;-.53,-2.25,;-1.29,-3.58,;-.5,-4.92,;1.04,-4.9,;4.25,-4.81,;3.78,-6.27,;5.72,-4.32,;7.05,-5.09,;8.38,-4.32,;9.72,-5.09,;11.05,-4.31,;7.05,-6.63,;5.71,-7.39,;5.71,-8.93,;7.04,-9.7,;7.03,-11.24,;8.38,-8.93,;8.38,-7.4,;9.71,-6.62,)|