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

NameCHEMBL2022258
Molecular formulaC26H26O4
IUPAC name2-[6-[[3-(2,4,6-trimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight402.49
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
SynonymsSCHEMBL3450662
BDBM50382538
Inchi KeyAQKJHSVMUFRPBD-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26O4/c1-16-9-17(2)26(18(3)10-16)20-6-4-5-19(11-20)14-29-22-7-8-23-21(12-25(27)28)15-30-24(23)13-22/h4-11,13,21H,12,14-15H2,1-3H3,(H,27,28)
PubChem CID23111766
ChEMBLCHEMBL2022258
IUPHARN/A
BindingDB50382538
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11849Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
11850Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

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