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Target
Dipeptidyl peptidase 9
Ligand
BDBM50228403
Substrate
n/a
Meas. Tech.
ChEBML_1717761
IC50
>100000±n/a nM
Citation
 Rea, D; Van Elzen, R; De Winter, H; Van Goethem, S; Landuyt, B; Luyten, W; Schoofs, L; Van Der Veken, P; Augustyns, K; De Meester, I; Fülöp, V; Lambeir, AM Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 and structure-activity relationships based on inhibitor profiling. Eur J Med Chem 139:482-491 (2017) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 9
Synonyms:
DPP9 | Dipeptidyl peptidase 9
Type:
PROTEIN
Mol. Mass.:
102745.04
Organism:
Bos taurus
Description:
ChEMBL_117783
Residue:
902
Sequence:
MRKVKKLRLDNVNTGHWRSFSLNSQGAERMATGALTSERGDAAETEDPASRFQVQKHSWEGLRSIIHGSRKNSGLVVNKAPHDFQFVQKTDESGPHSHRLYYLGMPYGSRENSLLYSEIPRKVRKEALLLLSWKQMLDHFQATPHHGVYSREEELLRERKRLGVFGITSYDFHSESGLFLFQASNSLFHCRDGGKNGFMVSPMKPLEIKTQCSGPRMDPKICPADPAFFSFINNSDLWVANIETGEERRLTFCHKGLSSVLDDPKSAGVATFVIQEEFDRFTGYWWCPTASWEGSEGCKTLRILYEEVDESEVEIIHVPSPALEERKTDSYRYPRTGSKNPRIALKLAEFQTDSQGKIVSTQEKELVQPFSLLFPKVEYLARAGWTQDGKYAWAMFLDRPQQRLQLVLLPPALFIPTTDNEEQRAAFARAVPRDVQPYVVYEEVTDVWINVHDIFYPFPQAEGVDELCFIRANECKTGFCHLYKVTAVLRPRGYDWTQPFSPGDDEFKCPIKEEIALTSGEWEVLARHGSKIWVNEETKLVYFQGTKDTPLEHHLYVVSYEVAGEIVRLTTPGFSHSCSMSQNFDMFISHYSSVGTPPCVHVYKLSGPDDDPLHKQPRFWASMMEAASCPPDYVPPEIFHFHTRSDVRLYGMIYKPHAVQPGRKHPTVLFVYGGPQVQLVNNSFKGIKYLRLNTLASLGYAVVVIDGRGSCQRGLRFEGALKNQMGQVEIEDQVEGLQFVAEKYGFIDLSRVAIHGWSYGGFLSLMGLIHKPQVFKVAIAGAPVTVWMAYDTGYTERYMDVPENNQLGYEAGSVALHVEKLPNEPNRLLILHGFLDENVHFFHTNFLVSQLIRAGKPYQLQIYPNERHSIRCPESGKKEKQKQEAGVQSEKKTHIHTPTPLE
  
Inhibitor
Name:
BDBM50228403
Synonyms:
(R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione | 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione | CHEMBL237500 | LINAGLIPTIN | US10202383, Example 2(142) | US10358449, Linagliptin | US9255098, Linagliptin | US9321791, 2(142) | US9556175, 2(142)
Type:
Small organic molecule
Emp. Form.:
C25H28N8O2
Mol. Mass.:
472.5422
SMILES:
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Structure:
Search PDB for entries with ligand similarity: