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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	CHEMBL233160
Molecular formula	C27H20BrF2N3O2
IUPAC name	2-[3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]-5-methyl-1,3,4-oxadiazole
Molecular weight	536.377
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.6
Synonyms	BDBM50423155 SCHEMBL5629752
Inchi Key	ABWSMEOXYWDCIZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H20BrF2N3O2/c1-16-6-10-25(33(16)22-5-3-4-18(12-22)27-32-31-17(2)35-27)23-13-20(28)8-11-26(23)34-15-19-7-9-21(29)14-24(19)30/h3-14H,15H2,1-2H3
PubChem CID	44432376
ChEMBL	CHEMBL233160
IUPHAR	N/A
BindingDB	50423155
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	39.81 nM	PMID17196385	ChEMBL
IC50	40.0 nM	PMID17196385	BindingDB

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