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 EP1 subtype
Species	Mus musculus (Mouse)
Gene	Ptger1
Synonym	EP1 prostanoid receptor EP1 receptor PGE receptor EP1 subtype PGE2 receptor EP1 subtype prostaglandin E receptor 1 (subtype EP1), 42kDa Prostanoid EP1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	405
Amino acid sequence	MSPCGLNLSLADEAATCATPRLPNTSVVLPTGDNGTSPALPIFSMTLGAVSNVLALALLAQVAGRMRRRRSAATFLLFVASLLAIDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTQPLIHAARVSVARARLALAVLAAMALAVALLPLVHVGRYELQYPGTWCFISLGPRGGWRQALLAGLFAGLGLAALLAALVCNTLSGLALLRARWRRRRSRRFRKTAGPDDRRRWGSRGPRLASASSASSITSATATLRSSRGGGSARRVHAHDVEMVGQLVGIMVVSCICWSPLLVLVVLAIGGWNSNSLQRPLFLAVRLASWNQILDPWVYILLRQAMLRQLLRLLPLRVSAKGGPTELGLTKSAWEASSLRSSRHSGFSHL
UniProt	P35375
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	CHEMBL2181
IUPHAR	340
DrugBank	N/A

Ligand

Name	CHEMBL2036318
Molecular formula	C27H28N2O4S2
IUPAC name	2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(4-methylphenyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight	508.651
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50385128 SCHEMBL10210672
Inchi Key	PJFILWNETZMJRD-RBJONROZSA-N
Inchi ID	InChI=1S/C27H28N2O4S2/c1-18-5-7-20(8-6-18)21-4-2-3-19(15-21)16-23(30)11-9-22-10-12-25(31)29(22)13-14-34-27-28-24(17-35-27)26(32)33/h2-9,11,15,17,22-23,30H,10,12-14,16H2,1H3,(H,32,33)/b11-9+/t22-,23+/m0/s1
PubChem CID	57893982
ChEMBL	CHEMBL2036318
IUPHAR	N/A
BindingDB	50385128
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6100.0 nM	PMID22546206	BindingDB,ChEMBL

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