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GLASS

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GPCR

Name	Prostaglandin E2 receptor EP1 subtype
Species	Homo sapiens (Human)
Gene	PTGER1
Synonym	PGE receptor EP1 subtype EP1 receptor prostaglandin E receptor 1 (subtype EP1), 42kDa Prostanoid EP1 receptor EP1 prostanoid receptor PGE2 receptor EP1 subtype [ Show all ]
Disease	Unspecified Thrombosis Pollakiuria Pain
Length	402
Amino acid sequence	MSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSNLLALALLAQAAGRLRRRRSAATFLLFVASLLATDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTRPLLHAARVSVARARLALAAVAAVALAVALLPLARVGRYELQYPGTWCFIGLGPPGGWRQALLAGLFASLGLVALLAALVCNTLSGLALLRARWRRRSRRPPPASGPDSRRRWGAHGPRSASASSASSIASASTFFGGSRSSGSARRARAHDVEMVGQLVGIMVVSCICWSPMLVLVALAVGGWSSTSLQRPLFLAVRLASWNQILDPWVYILLRQAVLRQLLRLLPPRAGAKGGPAGLGLTPSAWEASSLRSSRHSGLSHF
UniProt	P34995
Protein Data Bank	N/A
GPCR-HGmod model	P34995
3D structure model	This predicted structure model is from GPCR-EXP P34995.
BioLiP	N/A
Therapeutic Target Database	T15497
ChEMBL	CHEMBL1811
IUPHAR	340
DrugBank	BE0000064

Ligand

Name	CHEMBL251294
Molecular formula	C20H27NO4
IUPAC name	4-[2-[(2R)-2-[(E,3S)-3-hydroxyhept-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
Molecular weight	345.439
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.8
Synonyms	4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate BDBM50213980 SCHEMBL4946120 4-(2-((R)-2-((S,E)-3-hydroxyhept-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid
Inchi Key	ATUOXIPDZVUQQS-HNDWKTGHSA-N
Inchi ID	InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
PubChem CID	44442327
ChEMBL	CHEMBL251294
IUPHAR	N/A
BindingDB	50213980
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	<10000.0 nM	PMID17531488	BindingDB,ChEMBL

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