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	Rattus norvegicus (Rat)
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	MSPYGLNLSLVDEATTCVTPRVPNTSVVLPTGGNGTSPALPIFSMTLGAVSNVLALALLAQVAGRLRRRRSTATFLLFVASLLAIDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTQPLIHAARVSVARARLALALLAAMALAVALLPLVHVGHYELQYPGTWCFISLGPPGGWRQALLAGLFAGLGLAALLAALVCNTLSGLALLRARWRRRRSRRFRENAGPDDRRRWGSRGLRLASASSASSITSTTAALRSSRGGGSARRVHAHDVEMVGQLVGIMVVSCICWSPLLVLVVLAIGGWNSNSLQRPLFLAVRLASWNQILDPWVYILLRQAMLRQLLRLLPLRVSAKGGPTELSLTKSAWEASSLRSSRHSGFSHL
UniProt	P70597
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	CHEMBL5068
IUPHAR	340
DrugBank	N/A

Ligand

Name	SCHEMBL6117461
Molecular formula	C22H16ClFN2O3
IUPAC name	6-[[6-chloro-2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylic acid
Molecular weight	410.829
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM119470 US8680120, 25-23 CHEMBL3665564
Inchi Key	LWMJSEXGBQWYNA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H16ClFN2O3/c1-29-21-10-14-9-19(13-4-2-5-15(24)8-13)26(20(14)11-17(21)23)12-16-6-3-7-18(25-16)22(27)28/h2-11H,12H2,1H3,(H,27,28)
PubChem CID	69670851
ChEMBL	CHEMBL3665564
IUPHAR	N/A
BindingDB	119470
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	32.0 nM	, None	BindingDB,ChEMBL

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