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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	CHEMBL362851
Molecular formula	C23H16ClNO3S
IUPAC name	6-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine-2-carboxylic acid
Molecular weight	421.895
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.8
Synonyms	6-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridine-2-carboxylic acid BDBM50160913
Inchi Key	CZCMZYYRRYEIHW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H16ClNO3S/c24-16-9-10-21(28-14-15-5-2-1-3-6-15)18(13-16)17-11-12-29-22(17)19-7-4-8-20(25-19)23(26)27/h1-13H,14H2,(H,26,27)
PubChem CID	44392460
ChEMBL	CHEMBL362851
IUPHAR	N/A
BindingDB	50160913
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Kb	1.0 nM	PMID15686932	ChEMBL
Ki	6.0 nM	PMID15686932	BindingDB,ChEMBL
Ki	280.0 nM	PMID15686932	BindingDB,ChEMBL

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