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 EP2 subtype
Species	Rattus norvegicus (Rat)
Gene	Ptger2
Synonym	EP2 receptor PGE receptor EP2 subtype PGE2 receptor EP2 subtype prostaglandin E receptor 2 (subtype EP2), 53kDa Prostanoid EP2 receptor Ptger-ep2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MDNSFNDSRRVENCESRQYLLSDESPAISSVMFTAGVLGNLIALALLARRWRGDTGCSAGSRTSISLFHVLVTELVLTDLLGTCLISPVVLASYSRNQTLVALAPESRACTYFAFTMTFFSLATMLMLFAMALERYLAIGHPYFYRRRVSRRGGLAVLPAIYGVSLLFCSLPLLNYGEYVQYCPGTWCFIQHGRTAYLQLYATVLLLLIVAVLGCNISVILNLIRMQLRSKRSRCGLSGSSLRGPGSRRRGERTSMAEETDHLILLAIMTITFAVCSLPFTIFAYMDETSSRKEKWDLRALRFLSVNSIIDPWVFVILRPPVLRLMRSVLCCRTSLRAPEAPGASCSTQQTDLCGQL
UniProt	Q62928
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	CHEMBL4909
IUPHAR	341
DrugBank	N/A

Ligand

Name	CHEMBL553468
Molecular formula	C19H31NO4S
IUPAC name	7-[(4-tert-butylphenyl)methyl-methylsulfonylamino]heptanoic acid
Molecular weight	369.52
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	7-(N-(4-tert-butylbenzyl)methylsulfonamido)heptanoic acid BDBM50293504 SCHEMBL12749296
Inchi Key	BWVXTDRTJMUKCK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H31NO4S/c1-19(2,3)17-12-10-16(11-13-17)15-20(25(4,23)24)14-8-6-5-7-9-18(21)22/h10-13H,5-9,14-15H2,1-4H3,(H,21,22)
PubChem CID	16048029
ChEMBL	CHEMBL553468
IUPHAR	N/A
BindingDB	50293504
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	590.0 nM	PMID19250823	BindingDB,ChEMBL

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