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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	CHEMBL425243
Molecular formula	C22H26ClNO4S
IUPAC name	5-[3-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight	435.963
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50181282 SCHEMBL4990824 5-(3-((S)-2-(4-(4-chlorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
Inchi Key	MEGLXJYQFSBUAK-ZENAZSQFSA-N
Inchi ID	InChI=1S/C22H26ClNO4S/c23-16-5-3-15(4-6-16)14-18(25)9-7-17-8-12-21(26)24(17)13-1-2-19-10-11-20(29-19)22(27)28/h3-6,10-11,17-18,25H,1-2,7-9,12-14H2,(H,27,28)/t17-,18?/m0/s1
PubChem CID	44409918
ChEMBL	CHEMBL425243
IUPHAR	N/A
BindingDB	50181282
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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