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 EP4 subtype
Species	Homo sapiens (Human)
Gene	PTGER4
Synonym	Prostanoid EP4 receptor PGE2 receptor EP4 subtype PGE receptor EP4 subtype EP4 receptor EP2
Disease	Ulcerative colitis Glaucoma Inflammatory disease Migraine Osteoarthritis Osteoarthritis; Pain Pain Fracture Asthma Acute heart failure [ Show all ]
Length	488
Amino acid sequence	MSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
UniProt	P35408
Protein Data Bank	5ywy, 5yhl
GPCR-HGmod model	P35408
3D structure model	This structure is from PDB ID 5ywy.
BioLiP	BL0434347, BL0434289
Therapeutic Target Database	T18876
ChEMBL	CHEMBL1836
IUPHAR	343
DrugBank	BE0003522

Ligand

Name	CHEMBL3264208
Molecular formula	C22H24N2O3
IUPAC name	(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
Molecular weight	364.445
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.1
Synonyms	SCHEMBL14334085
Inchi Key	ATVNQFRYKUTVRU-PKNBQFBNSA-N
Inchi ID	InChI=1S/C22H24N2O3/c1-15-17(18-6-4-5-7-19(18)24-15)12-13-23-22(25)11-9-16-8-10-20(26-2)21(14-16)27-3/h4-11,14,24H,12-13H2,1-3H3,(H,23,25)/b11-9+
PubChem CID	71499416
ChEMBL	CHEMBL3264208
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kb	1.46 nM	PMID24773616	ChEMBL

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