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

NameCHEMBL2058528
Molecular formulaC23H22O3S
IUPAC name3-[4-[[2-(4-methylsulfanylphenyl)phenyl]methoxy]phenyl]propanoic acid
Molecular weight378.486
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50420163
Inchi KeyDMWGPMAFDFXIEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22O3S/c1-27-21-13-9-18(10-14-21)22-5-3-2-4-19(22)16-26-20-11-6-17(7-12-20)8-15-23(24)25/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
PubChem CID57521915
ChEMBLCHEMBL2058528
IUPHARN/A
BindingDB50420163
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
64083Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
64084Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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