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

NameCHEMBL3947787
Molecular formulaC21H19ClO4
IUPAC name3-[5-(3-chloro-5-cyclobutyloxyphenyl)-1-benzofuran-2-yl]propanoic acid
Molecular weight370.829
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50203661
Inchi KeyKLEOPTWEMLEDDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19ClO4/c22-16-9-14(10-19(12-16)25-17-2-1-3-17)13-4-6-20-15(8-13)11-18(26-20)5-7-21(23)24/h4,6,8-12,17H,1-3,5,7H2,(H,23,24)
PubChem CID134147174
ChEMBLCHEMBL3947787
IUPHARN/A
BindingDB50203661
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
550046Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
550044Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377
550045Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361

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