Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL3961009
Molecular formulaC18H16ClF3O4
IUPAC name4-[4-[2-chloro-5-(trifluoromethoxy)phenyl]-3-methylphenoxy]butanoic acid
Molecular weight388.767
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50203675
Inchi KeyIXCGAOKQTBZAKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16ClF3O4/c1-11-9-12(25-8-2-3-17(23)24)4-6-14(11)15-10-13(5-7-16(15)19)26-18(20,21)22/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)
PubChem CID134155277
ChEMBLCHEMBL3961009
IUPHARN/A
BindingDB50203675
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
549698Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
549696Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361
549697Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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