Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3939809
Molecular formulaC20H18F2N2O
IUPAC name3-[3-fluoro-5-[2-(3-fluorophenyl)ethynyl]pyridin-2-yl]-1,5,5-trimethylpyrrolidin-2-one
Molecular weight340.374
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsUS9212171, 21
BDBM196696
SCHEMBL13516599
Inchi KeyAJFNPHWKEFNPOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18F2N2O/c1-20(2)11-16(19(25)24(20)3)18-17(22)10-14(12-23-18)8-7-13-5-4-6-15(21)9-13/h4-6,9-10,12,16H,11H2,1-3H3
PubChem CID70925661
ChEMBLCHEMBL3939809
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536111Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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