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 1
Species	Rattus norvegicus (Rat)
Gene	Ffar1
Synonym	FFA1 receptor FFA1R G protein-coupled receptor 40 G-protein coupled receptor 40 GPR40
Disease	N/A for non-human GPCRs
Length	300
Amino acid sequence	MDLPPQLSFALYVSAFALGFPLNLLAIRGAVSHAKLRLTPSLVYTLHLACSDLLLAITLPLKAVEALASGVWPLPLPFCPVFALAHFAPLYAGGGFLAALSAGRYLGAAFPFGYQAIRRPCYSWGVCVAIWALVLCHLGLALGLEAPRGWVDNTTSSLGINIPVNGSPVCLEAWDPDSARPARLSFSILLFFLPLVITAFCYVGCLRALVHSGLSHKRKLRAAWVAGGALLTLLLCLGPYNASNVASFINPDLEGSWRKLGLITGAWSVVLNPLVTGYLGTGPGQGTICVTRTPRGTIQK
UniProt	Q8K3T4
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1795180
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3288348
Molecular formula	C22H22N2O3
IUPAC name	3-[5-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyrazin-2-yl]propanoic acid
Molecular weight	362.429
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50019087
Inchi Key	HQMHKIMMZMBUTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N2O3/c1-15-5-3-6-16(2)22(15)18-8-4-7-17(11-18)14-27-20-13-23-19(12-24-20)9-10-21(25)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,26)
PubChem CID	90644290
ChEMBL	CHEMBL3288348
IUPHAR	N/A
BindingDB	50019087
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	16.0 nM	PMID24835985	BindingDB,ChEMBL

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