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	Prostaglandin E2 receptor EP3 subtype
Species	Homo sapiens (Human)
Gene	PTGER3
Synonym	EP3 receptor PGE receptor EP3 subtype PGE2 receptor EP3 subtype PGE2-R prostaglandin E receptor 3 Prostanoid EP3 receptor [ Show all ]
Disease	Pain Peripheral vascular disease Asthma Glaucoma
Length	390
Amino acid sequence	MKETRGYGGDAPFCTRLNHSYTGMWAPERSAEARGNLTRPPGSGEDCGSVSVAFPITMLLTGFVGNALAMLLVSRSYRRRESKRKKSFLLCIGWLALTDLVGQLLTTPVVIVVYLSKQRWEHIDPSGRLCTFFGLTMTVFGLSSLFIASAMAVERALAIRAPHWYASHMKTRATRAVLLGVWLAVLAFALLPVLGVGQYTVQWPGTWCFISTGRGGNGTSSSHNWGNLFFASAFAFLGLLALTVTFSCNLATIKALVSRCRAKATASQSSAQWGRITTETAIQLMGIMCVLSVCWSPLLIMMLKMIFNQTSVEHCKTHTEKQKECNFFLIAVRLASLNQILDPWVYLLLRKILLRKFCQIRYHTNNYASSSTSLPCQCSSTLMWSDHLER
UniProt	P43115
Protein Data Bank	6m9t
GPCR-HGmod model	P43115
3D structure model	This structure is from PDB ID 6m9t.
BioLiP	BL0434681
Therapeutic Target Database	T85467
ChEMBL	CHEMBL3710
IUPHAR	342
DrugBank	BE0002375

Ligand

Name	CHEMBL165010
Molecular formula	C17H16O2S
IUPAC name	(E)-3-[2-[(4-methylsulfanylphenyl)methyl]phenyl]prop-2-enoic acid
Molecular weight	284.373
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	SCHEMBL7929816 (E)-3-[2-(4-Methylsulfanyl-benzyl)-phenyl]-acrylic acid BDBM50097794 SCHEMBL7929810 2-[4-(Methylthio)benzyl]benzeneacrylic acid
Inchi Key	GTCWHZLORAMXKL-DHZHZOJOSA-N
Inchi ID	InChI=1S/C17H16O2S/c1-20-16-9-6-13(7-10-16)12-15-5-3-2-4-14(15)8-11-17(18)19/h2-11H,12H2,1H3,(H,18,19)/b11-8+
PubChem CID	9817292
ChEMBL	CHEMBL165010
IUPHAR	N/A
BindingDB	50097794
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	80.0 nM	PMID11266183	BindingDB,ChEMBL

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