Zhang Lab

National University of Singapore

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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Free fatty acid receptor 3
Species	Homo sapiens (Human)
Gene	FFAR3
Synonym	FFA3R FFA3 receptor G-protein coupled receptor 41 GPCR41 GPR41 LSSIG G protein-coupled receptor 41 [ Show all ]
Disease	N/A
Length	346
Amino acid sequence	MDTGPDQSYFSGNHWFVFSVYLLTFLVGLPLNLLALVVFVGKLQRRPVAVDVLLLNLTASDLLLLLFLPFRMVEAANGMHWPLPFILCPLSGFIFFTTIYLTALFLAAVSIERFLSVAHPLWYKTRPRLGQAGLVSVACWLLASAHCSVVYVIEFSGDISHSQGTNGTCYLEFRKDQLAILLPVRLEMAVVLFVVPLIITSYCYSRLVWILGRGGSHRRQRRVAGLLAATLLNFLVCFGPYNVSHVVGYICGESPAWRIYVTLLSTLNSCVDPFVYYFSSSGFQADFHELLRRLCGLWGQWQQESSMELKEQKGGEEQRADRPAERKTSEHSQGCGTGGQVACAES
UniProt	O14843
Protein Data Bank	N/A
GPCR-HGmod model	O14843
3D structure model	This predicted structure model is from GPCR-EXP O14843.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5201
IUPHAR	227
DrugBank	N/A

Ligand

Name	CHEMBL3805879
Molecular formula	C18H14FN3O3S
IUPAC name	3-[5-[[3-(4-fluorophenyl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
Molecular weight	371.386
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BDBM50171870
Inchi Key	LBXXTDSJYRFPFG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H14FN3O3S/c19-13-6-4-11(5-7-13)12-2-1-3-14(10-12)20-17(25)18-22-21-15(26-18)8-9-16(23)24/h1-7,10H,8-9H2,(H,20,25)(H,23,24)
PubChem CID	127048827
ChEMBL	CHEMBL3805879
IUPHAR	N/A
BindingDB	50171870
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID27229618	BindingDB,ChEMBL

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