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 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

NameCHEMBL3944507
Molecular formulaC19H19FO4
IUPAC name4-[4-(5-cyclopropyloxy-2-fluorophenyl)phenoxy]butanoic acid
Molecular weight330.355
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50203656
Inchi KeyAQNIDUQNJARXRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19FO4/c20-18-10-9-16(24-15-7-8-15)12-17(18)13-3-5-14(6-4-13)23-11-1-2-19(21)22/h3-6,9-10,12,15H,1-2,7-8,11H2,(H,21,22)
PubChem CID134145412
ChEMBLCHEMBL3944507
IUPHARN/A
BindingDB50203656
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
548018Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
548019Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377
548020Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417