Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

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

You can:

Ligand

NameSCHEMBL17419035
Molecular formulaC27H28FN3O4
IUPAC name(3S)-3-cyclopropyl-3-[3-[[5-(5-fluoro-2-methoxypyridin-4-yl)-6-(2-methylprop-1-enyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
Molecular weight477.536
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.6
SynonymsAGRNNMWINKSEEL-NRFANRHFSA-N
BDBM168190
US9688642, 11
(3S)-3-Cyclopropyl-3-(3-((5-(5-fluoro-2-methoxypyridin-4-yl)-6-(2-methylprop-1-enyl)pyrazin-2-yl)methoxy)phenyl)propanoic acid
Inchi KeyAGRNNMWINKSEEL-NRFANRHFSA-N
Inchi IDInChI=1S/C27H28FN3O4/c1-16(2)9-24-27(22-11-25(34-3)29-14-23(22)28)30-13-19(31-24)15-35-20-6-4-5-18(10-20)21(12-26(32)33)17-7-8-17/h4-6,9-11,13-14,17,21H,7-8,12,15H2,1-3H3,(H,32,33)/t21-/m0/s1
PubChem CID118645786
ChEMBLN/A
IUPHARN/A
BindingDB168190
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
557420Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300
557421Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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