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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	CHEMBL599051
Molecular formula	C21H18ClNO3S
IUPAC name	4-[(1S)-1-[[4-[(3-chlorophenyl)methyl]thiophene-3-carbonyl]amino]ethyl]benzoic acid
Molecular weight	399.889
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50308124 SCHEMBL2352356 4-[(1S)-1-({[4-(3-Chlorobenzyl)-3-thienyl]carbonyl}amino)ethyl]-benzoic Acid
Inchi Key	CKYFFWHUNIOYDH-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C21H18ClNO3S/c1-13(15-5-7-16(8-6-15)21(25)26)23-20(24)19-12-27-11-17(19)9-14-3-2-4-18(22)10-14/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26)/t13-/m0/s1
PubChem CID	24952577
ChEMBL	CHEMBL599051
IUPHAR	N/A
BindingDB	50308124
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	12.0 nM	PMID20163116	BindingDB,ChEMBL
Ki	6.4 nM	PMID20163116	BindingDB,ChEMBL
Ki	7.9 nM	, None	BindingDB,ChEMBL

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