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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	CHEMBL1915264
Molecular formula	C24H23ClN4O3
IUPAC name	1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
Molecular weight	450.923
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BATVBXSSNSBMMX-UHFFFAOYSA-N 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide BDBM50419416 SCHEMBL3225696
Inchi Key	BATVBXSSNSBMMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23ClN4O3/c1-16-11-21(24(30)27-28-7-9-31-10-8-28)26-29(16)15-19-13-20(25)12-18-14-22(32-23(18)19)17-5-3-2-4-6-17/h2-6,11-14H,7-10,15H2,1H3,(H,27,30)
PubChem CID	57393869
ChEMBL	CHEMBL1915264
IUPHAR	N/A
BindingDB	50419416
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	10.0 nM	PMID21676612	BindingDB,ChEMBL

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