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	Mus musculus (Mouse)
Gene	Ptger3
Synonym	EP3 receptor PGE receptor EP3 subtype PGE2 receptor EP3 subtype prostaglandin E receptor 3 prostanoid EP3 receptor
Disease	N/A for non-human GPCRs
Length	365
Amino acid sequence	MASMWAPEHSAEAHSNLSSTTDDCGSVSVAFPITMMVTGFVGNALAMLLVSRSYRRRESKRKKSFLLCIGWLALTDLVGQLLTSPVVILVYLSQRRWEQLDPSGRLCTFFGLTMTVFGLSSLLVASAMAVERALAIRAPHWYASHMKTRATPVLLGVWLSVLAFALLPVLGVGRYSVQWPGTWCFISTGPAGNETDPAREPGSVAFASAFACLGLLALVVTFACNLATIKALVSRCRAKAAVSQSSAQWGRITTETAIQLMGIMCVLSVCWSPLLIMMLKMIFNQMSVEQCKTQMGKEKECNSFLIAVRLASLNQILDPWVYLLLRKILLRKFCQIRDHTNYASSSTSLPCPGSSALMWSDQLER
UniProt	P30557
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	CHEMBL4336
IUPHAR	342
DrugBank	N/A

Ligand

Name	CHEMBL1091743
Molecular formula	C30H26F2N4O4S
IUPAC name	N-(3,4-difluorophenyl)sulfonyl-3-[2-(naphthalen-1-ylmethylamino)oxy-4-(pyrazol-1-ylmethyl)phenyl]propanamide
Molecular weight	576.619
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50315981 3-(4-((1H-pyrazol-1-yl)methyl)-2-(naphthalen-1-ylmethylaminooxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
Inchi Key	CUVIWZMOEZNKMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H26F2N4O4S/c31-27-13-12-25(18-28(27)32)41(38,39)35-30(37)14-11-23-10-9-21(20-36-16-4-15-33-36)17-29(23)40-34-19-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-18,34H,11,14,19-20H2,(H,35,37)
PubChem CID	46886451
ChEMBL	CHEMBL1091743
IUPHAR	N/A
BindingDB	50315981
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.4 nM	PMID20346663	BindingDB,ChEMBL
Ki	0.13 nM	PMID20346663	BindingDB,ChEMBL

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