Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3968537
Molecular formulaC21H20O4
IUPAC name3-[5-(3-cyclobutyloxyphenyl)-1-benzofuran-2-yl]propanoic acid
Molecular weight336.387
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50203659
Inchi KeyAIGFQVBWSVEVLF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20O4/c22-21(23)10-8-19-13-16-11-15(7-9-20(16)25-19)14-3-1-6-18(12-14)24-17-4-2-5-17/h1,3,6-7,9,11-13,17H,2,4-5,8,10H2,(H,22,23)
PubChem CID134151115
ChEMBLCHEMBL3968537
IUPHARN/A
BindingDB50203659
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
547961Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
547962Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361
547963Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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