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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	CHEMBL427035
Molecular formula	C24H29NO4
IUPAC name	4-[3-[2-(3-hydroxy-4-phenylbutyl)-5-oxopyrrolidin-1-yl]propyl]benzoic acid
Molecular weight	395.499
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	4-{3-[2-(3-Hydroxy-4-phenyl-butyl)-5-oxo-pyrrolidin-1-yl]-propyl}-benzoic acid BDBM50181283 DQLDMXGXNPDHDY-UHFFFAOYSA-N 4-{3-[2-(3-Hydroxy-4-phenyl-butyl)-5-oxo-pyrrolidin-yl]-propyl-}benzoic acid 4-(3-(2-(3-hydroxy-4-phenylbutyl)-5-oxopyrrolidin-1-yl)propyl)benzoic acid SCHEMBL4992115 [ Show all ]
Inchi Key	DQLDMXGXNPDHDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29NO4/c26-22(17-19-5-2-1-3-6-19)14-12-21-13-15-23(27)25(21)16-4-7-18-8-10-20(11-9-18)24(28)29/h1-3,5-6,8-11,21-22,26H,4,7,12-17H2,(H,28,29)
PubChem CID	11326896
ChEMBL	CHEMBL427035
IUPHAR	N/A
BindingDB	50181283
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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