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

NameCHEMBL3944507
Molecular formulaC19H19FO4
IUPAC name4-[4-(5-cyclopropyloxy-2-fluorophenyl)phenoxy]butanoic acid
Molecular weight330.355
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50203656
Inchi KeyAQNIDUQNJARXRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19FO4/c20-18-10-9-16(24-15-7-8-15)12-17(18)13-3-5-14(6-4-13)23-11-1-2-19(21)22/h3-6,9-10,12,15H,1-2,7-8,11H2,(H,21,22)
PubChem CID134145412
ChEMBLCHEMBL3944507
IUPHARN/A
BindingDB50203656
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548018Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
548019Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377
548020Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361

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