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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	CHEMBL1915245
Molecular formula	C23H21ClN4O
IUPAC name	2-[1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-1H-benzimidazole
Molecular weight	404.898
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.7
Synonyms	BDBM50419420 SCHEMBL4176126
Inchi Key	BBFRJBLIFQOIMY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21ClN4O/c1-13(2)21-11-15-9-17(24)10-16(22(15)29-21)12-28-14(3)8-20(27-28)23-25-18-6-4-5-7-19(18)26-23/h4-11,13H,12H2,1-3H3,(H,25,26)
PubChem CID	135581997
ChEMBL	CHEMBL1915245
IUPHAR	N/A
BindingDB	50419420
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
IC50	50.12 nM	PMID21676612	BindingDB,ChEMBL

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