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 2
Species	Homo sapiens (Human)
Gene	FFAR2
Synonym	FFA2R G protein-coupled receptor 43 G-protein coupled receptor 43 GPCR3 GPR43 FFA2 receptor [ Show all ]
Disease	Abortion Diabetes
Length	330
Amino acid sequence	MLPDWKSSLILMAYIIIFLTGLPANLLALRAFVGRIRQPQPAPVHILLLSLTLADLLLLLLLPFKIIEAASNFRWYLPKVVCALTSFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWVMSFGHCTIVIIVQYLNTTEQVRSGNEITCYENFTDNQLDVVLPVRLELCLVLFFIPMAVTIFCYWRFVWIMLSQPLVGAQRRRRAVGLAVVTLLNFLVCFGPYNVSHLVGYHQRKSPWWRSIAVVFSSLNASLDPLLFYFSSSVVRRAFGRGLQVLRNQGSSLLGRRGKDTAEGTNEDRGVGQGEGMPSSDFTTE
UniProt	O15552
Protein Data Bank	N/A
GPCR-HGmod model	O15552
3D structure model	This predicted structure model is from GPCR-EXP O15552.
BioLiP	N/A
Therapeutic Target Database	T28213
ChEMBL	CHEMBL5493
IUPHAR	226
DrugBank	N/A

Ligand

Name	CHEMBL3353516
Molecular formula	C27H26N2O5S
IUPAC name	4-[1-benzofuran-6-ylmethyl-[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]amino]butanoic acid
Molecular weight	490.574
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50032342 SCHEMBL11300002
Inchi Key	GMLZXIZFIGXRQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H26N2O5S/c1-27(11-13-29(27)25(32)21-17-35-23-6-3-2-5-20(21)23)26(33)28(12-4-7-24(30)31)16-18-8-9-19-10-14-34-22(19)15-18/h2-3,5-6,8-10,14-15,17H,4,7,11-13,16H2,1H3,(H,30,31)
PubChem CID	70558275
ChEMBL	CHEMBL3353516
IUPHAR	N/A
BindingDB	50032342
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	115.0 nM	PMID25380412	BindingDB,ChEMBL

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