Reaction Details Report a problem with these data
Target
Metabotropic glutamate receptor 2
Ligand
BDBM50257518
Substrate
n/a
Meas. Tech.
ChEMBL_1689940 (CHEMBL4040510)
Ki
0.891251±n/a nM
Citation
 Doornbos, MLJ; Cid, JM; Haubrich, J; Nunes, A; van de Sande, JW; Vermond, SC; Mulder-Krieger, T; Trabanco, AA; Ahnaou, A; Drinkenburg, WH; Lavreysen, H; Heitman, LH; IJzerman, AP; Tresadern, G Discovery and Kinetic Profiling of 7-Aryl-1,2,4-triazolo[4,3-a]pyridines: Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 2. J Med Chem 60:6704-6720 (2017) [PubMed]  Article 
Target
Name:
Metabotropic glutamate receptor 2
Synonyms:
GPRC1B | GRM2 | GRM2_HUMAN | MGLUR2 | Metabotropic glutamate receptor | glutamate receptor, metabotropic 2 precursor | mGlu2 | metabotropic glutamate 2
Type:
Enzyme
Mol. Mass.:
95584.88
Organism:
Homo sapiens (Human)
Description:
Q14416
Residue:
872
Sequence:
MGSLLALLALLLLWGAVAEGPAKKVLTLEGDLVLGGLFPVHQKGGPAEDCGPVNEHRGIQRLEAMLFALDRINRDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLSRGADGSRHICPDGSYATHGDAPTAITGVIGGSYSDVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAMAEILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKVGRAMSRAAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTWVASDGWGALESVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSRNPWFREFWEQRFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNMHRALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEVRFDRFGDGIGRYNIFTYLRAGSGRYRYQKVGYWAEGLTLDTSLIPWASPSAGPLPASRCSEPCLQNEVKSVQPGEVCCWLCIPCQPYEYRLDEFTCADCGLGYWPNASLTGCFELPQEYIRWGDAWAVGPVTIACLGALATLFVLGVFVRHNATPVVKASGRELCYILLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCYSALLTKTNRIARIFGGAREGAQRPRFISPASQVAICLALISGQLLIVVAWLVVEAPGTGKETAPERREVVTLRCNHRDASMLGSLAYNVLLIALCTLYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCVSVSLSGSVVLGCLFAPKLHIILFQPQKNVVSHRAPTSRFGSAAARASSSLGQGSGSQFVPTVCNGREVVDSTTSSL
  
Inhibitor
Name:
BDBM50257518
Synonyms:
CHEMBL4063313
Type:
Small organic molecule
Emp. Form.:
C26H28ClF3N4O
Mol. Mass.:
504.975
SMILES:
O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)|
Structure:
Search PDB for entries with ligand similarity: