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

NameSCHEMBL17418598
Molecular formulaC28H30FN3O5
IUPAC name(3S)-3-[3-[[6-cyclopentyloxy-5-(5-fluoro-2-methoxypyridin-4-yl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
Molecular weight507.562
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.5
SynonymsUS9688642, 16
BDBM168194
Inchi KeyHCURXNAVTZRCMB-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H30FN3O5/c1-35-25-12-23(24(29)15-30-25)27-28(37-20-6-2-3-7-20)32-19(14-31-27)16-36-21-8-4-5-18(11-21)22(13-26(33)34)17-9-10-17/h4-5,8,11-12,14-15,17,20,22H,2-3,6-7,9-10,13,16H2,1H3,(H,33,34)/t22-/m0/s1
PubChem CID118645401
ChEMBLN/A
IUPHARN/A
BindingDB168194
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
560769Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300
560770Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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