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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 EP4 subtype
Species	Homo sapiens (Human)
Gene	PTGER4
Synonym	Prostanoid EP4 receptor PGE2 receptor EP4 subtype PGE receptor EP4 subtype EP4 receptor EP2
Disease	Ulcerative colitis Glaucoma Inflammatory disease Migraine Osteoarthritis Osteoarthritis; Pain Pain Fracture Asthma Acute heart failure [ Show all ]
Length	488
Amino acid sequence	MSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
UniProt	P35408
Protein Data Bank	5ywy, 5yhl
GPCR-HGmod model	P35408
3D structure model	This structure is from PDB ID 5ywy.
BioLiP	BL0434347, BL0434289
Therapeutic Target Database	T18876
ChEMBL	CHEMBL1836
IUPHAR	343
DrugBank	BE0003522

Ligand

Name	CHEMBL3953493
Molecular formula	C25H25F3N2O3
IUPAC name	4-[1-[[3-[[4-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[4.1.0]heptane-4-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight	458.481
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.9
Synonyms	US9181279, E23 BDBM191557 BEUQPJMSVYNQEM-UHFFFAOYSA-N SCHEMBL14486373 4-(1-(3-(4-(trifluoromethyl)benzyl)-3-azabicyclo[4.1.0]heptane-4-carboxamido)cyclopropyl)benzoic acid
Inchi Key	BEUQPJMSVYNQEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25F3N2O3/c26-25(27,28)20-5-1-15(2-6-20)13-30-14-18-11-17(18)12-21(30)22(31)29-24(9-10-24)19-7-3-16(4-8-19)23(32)33/h1-8,17-18,21H,9-14H2,(H,29,31)(H,32,33)
PubChem CID	71186249
ChEMBL	CHEMBL3953493
IUPHAR	N/A
BindingDB	191557
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	11.5 nM	, None	BindingDB,ChEMBL

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