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	Mus musculus (Mouse)
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	362
Amino acid sequence	MDNFLNDSKLMEDCKSRQWLLSGESPAISSVMFSAGVLGNLIALALLARRWRGDTGCSAGSRTSISLFHVLVTELVLTDLLGTCLISPVVLASYSRNQTLVALAPESHACTYFAFTMTFFSLATMLMLFAMALERYLSIGYPYFYRRHLSRRGGLAVLPVIYGASLLFCSLPLLNYGEYVQYCPGTWCFIRHGRTAYLQLYATMLLLLIVAVLACNISVILNLIRMHRRSRRSRCGLSGSSLRGPGSRRRGERTSMAEETDHLILLAIMTITFAICSLPFTIFAYMDETSSLKEKWDLRALRFLSVNSIIDPWVFAILRPPVLRLMRSVLCCRTSLRTQEAQQTSCSTQSSASKQTDLCGQL
UniProt	Q62053
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	CHEMBL2488
IUPHAR	341
DrugBank	N/A

Ligand

Name	CHEMBL2315054
Molecular formula	C20H15Cl2FN2O2
IUPAC name	6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
Molecular weight	405.25
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50424385 SCHEMBL2952676 WCTJTYALDQBUBV-UHFFFAOYSA-N 6-[(5-chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)-methyl]-2-pyridinecarboxamide
Inchi Key	WCTJTYALDQBUBV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15Cl2FN2O2/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(25-16)20(24)26/h1-8,10H,9,11H2,(H2,24,26)
PubChem CID	24753314
ChEMBL	CHEMBL2315054
IUPHAR	N/A
BindingDB	50424385
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	<1000.0 nM	PMID23218714	ChEMBL

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