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	SCHEMBL6117558
Molecular formula	C23H19NO3
IUPAC name	3-[(5-methoxy-2-phenylindol-1-yl)methyl]benzoic acid
Molecular weight	357.409
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM119453 US8680120, 9-1 3-(5-Methoxy-2-phenylindol-1-ylmethyl)benzoic acid CHEMBL3665548 ZSWPWUSMEWCUCL-UHFFFAOYSA-N
Inchi Key	ZSWPWUSMEWCUCL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H19NO3/c1-27-20-10-11-21-19(13-20)14-22(17-7-3-2-4-8-17)24(21)15-16-6-5-9-18(12-16)23(25)26/h2-14H,15H2,1H3,(H,25,26)
PubChem CID	50907649
ChEMBL	CHEMBL3665548
IUPHAR	N/A
BindingDB	119453
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	21.0 nM	, None	BindingDB,ChEMBL

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