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

NameCHEMBL3914253
Molecular formulaC19H14F4O4
IUPAC name3-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]butanoic acid
Molecular weight382.311
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50203645
Inchi KeyUGMOVWRKXQKMDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14F4O4/c1-10(6-18(24)25)17-8-12-7-11(2-5-16(12)26-17)14-9-13(3-4-15(14)20)27-19(21,22)23/h2-5,7-10H,6H2,1H3,(H,24,25)
PubChem CID134142450
ChEMBLCHEMBL3914253
IUPHARN/A
BindingDB50203645
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
552089Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
552087Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361
552088Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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