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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL444798
Molecular formula	C24H28FNO4
IUPAC name	4-[3-[2-[4-(4-fluorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid
Molecular weight	413.489
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.8
Synonyms	4-(3-{2-[4-(4-Fluoro-phenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl}-propyl)-benzoic acid ZSPAEDJDADQTKU-UHFFFAOYSA-N 4-(3-(2-(4-(4-fluorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid BDBM50181288 SCHEMBL4998490
Inchi Key	ZSPAEDJDADQTKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28FNO4/c25-20-9-5-18(6-10-20)16-22(27)13-11-21-12-14-23(28)26(21)15-1-2-17-3-7-19(8-4-17)24(29)30/h3-10,21-22,27H,1-2,11-16H2,(H,29,30)
PubChem CID	11486771
ChEMBL	CHEMBL444798
IUPHAR	N/A
BindingDB	50181288
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	<3200.0 nM	PMID16442794	BindingDB,ChEMBL

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