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

NameCHEMBL2315249
Molecular formulaC18H16O3
IUPAC name3-[4-[2-[2-(hydroxymethyl)phenyl]ethynyl]phenyl]propanoic acid
Molecular weight280.323
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsSCHEMBL12087493
Inchi KeyBGYHRAMMUCXREZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16O3/c19-13-17-4-2-1-3-16(17)11-9-14-5-7-15(8-6-14)10-12-18(20)21/h1-8,19H,10,12-13H2,(H,20,21)
PubChem CID58319142
ChEMBLCHEMBL2315249
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23531Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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