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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL240866
Molecular formula	C22H22ClN3O3S
IUPAC name	N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-methylpyridin-3-yl)amino]acetamide
Molecular weight	443.946
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	N/A
Inchi Key	BEYXVJNYFYLBFA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22ClN3O3S/c1-16-5-11-20(12-6-16)30(28,29)26(21-4-3-13-24-17(21)2)15-22(27)25-14-18-7-9-19(23)10-8-18/h3-13H,14-15H2,1-2H3,(H,25,27)
PubChem CID	44439620
ChEMBL	CHEMBL240866
IUPHAR	N/A
BindingDB	N/A
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	199.53 nM	PMID17236765	ChEMBL
Ki	676.08 nM	PMID17236765	ChEMBL

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