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 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

NameSCHEMBL17419029
Molecular formulaC31H29FN2O4
IUPAC name(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(3-methylphenyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
Molecular weight512.581
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsUS9688642, 20
(S)-3-Cyclopropyl-3-(3-((5-(2-fluoro-5-methoxyphenyl)-6-(m-tolyl)pyrazin-2-yl)methoxy)phenyl)propanoic acid
NTFBDXAQEWSVHG-SANMLTNESA-N
BDBM168169
Inchi KeyNTFBDXAQEWSVHG-SANMLTNESA-N
Inchi IDInChI=1S/C31H29FN2O4/c1-19-5-3-7-22(13-19)30-31(27-15-24(37-2)11-12-28(27)32)33-17-23(34-30)18-38-25-8-4-6-21(14-25)26(16-29(35)36)20-9-10-20/h3-8,11-15,17,20,26H,9-10,16,18H2,1-2H3,(H,35,36)/t26-/m0/s1
PubChem CID118645781
ChEMBLN/A
IUPHARN/A
BindingDB168169
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
564537Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
564538Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417