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

NameCHEMBL3973101
Molecular formulaC17H12F6O4
IUPAC name4-[2,6-difluoro-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenoxy]butanoic acid
Molecular weight394.269
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50203658
Inchi KeyIJJBCZREWOBDBI-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12F6O4/c18-12-4-3-10(27-17(21,22)23)8-11(12)9-6-13(19)16(14(20)7-9)26-5-1-2-15(24)25/h3-4,6-8H,1-2,5H2,(H,24,25)
PubChem CID134153562
ChEMBLCHEMBL3973101
IUPHARN/A
BindingDB50203658
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
549596Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
549594Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377
549595Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361

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