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

NameCHEMBL3288354
Molecular formulaC23H22FNO3
IUPAC name3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-2-fluoropropanoic acid
Molecular weight379.431
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50019102
Inchi KeyIFDASFUXVDHKSQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)22(15)19-8-4-7-18(11-19)14-28-21-10-9-17(13-25-21)12-20(24)23(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
PubChem CID90644296
ChEMBLCHEMBL3288354
IUPHARN/A
BindingDB50019102
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
131743Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300
131744Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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