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

NameCHEMBL3298463
Molecular formulaC21H16F2N2O2
IUPAC name2-[(3-fluorophenoxy)methyl]-6-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one
Molecular weight366.368
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsBHCSFEWFNXLJEJ-UHFFFAOYSA-N
SCHEMBL10008695
BDBM50022820
2-((3-fluorophenoxy)methyl)-6-(4-fluorophenyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
Inchi KeyBHCSFEWFNXLJEJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16F2N2O2/c22-14-4-7-17(8-5-14)25-11-10-20-19(21(25)26)9-6-16(24-20)13-27-18-3-1-2-15(23)12-18/h1-9,12H,10-11,13H2
PubChem CID68008456
ChEMBLCHEMBL3298463
IUPHARN/A
BindingDB50022820
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23637Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
23636Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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