Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL493773
Molecular formulaC20H11FN2
IUPAC name2-(3-fluorophenyl)-5-(2-pyridin-2-ylethynyl)benzonitrile
Molecular weight298.32
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50258329
2-(3-Fluorophenyl)-5-(6-methylpyridin-2-ylethynyl)benzonitrile
Inchi KeyHWFBQZCRRDGGMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H11FN2/c21-18-5-3-4-16(13-18)20-10-8-15(12-17(20)14-22)7-9-19-6-1-2-11-23-19/h1-6,8,10-13H
PubChem CID44573868
ChEMBLCHEMBL493773
IUPHARN/A
BindingDB50258329
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
125501Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
125502Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
125503Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
125504Metabotropic glutamate receptor 6O15303GRM6Homo sapiens (Human)877

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218