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

NameCHEMBL3924759
Molecular formulaC18H19ClO4
IUPAC name4-[4-(2-chloro-5-ethoxyphenyl)phenoxy]butanoic acid
Molecular weight334.796
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50203657
Inchi KeyBTXCQOPYCPPCNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClO4/c1-2-22-15-9-10-17(19)16(12-15)13-5-7-14(8-6-13)23-11-3-4-18(20)21/h5-10,12H,2-4,11H2,1H3,(H,20,21)
PubChem CID134141270
ChEMBLCHEMBL3924759
IUPHARN/A
BindingDB50203657
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
548271Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
548270Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377
548272Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361

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