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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	GW9508
Molecular formula	C22H21NO3
IUPAC name	3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
Molecular weight	347.414
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.7
Synonyms	Benzenepropanoic acid, 4-(((3-phenoxyphenyl)methyl)amino)- CHEMBL207881 GW 9508 HMS3650I20 MolPort-009-019-206 s8014 UNII-4T77GYP2CS 3-[4-(3-Phenoxybenzylamino)phenyl]propanoic acid AK-41711 BRD-K71534238-001-03-5 D08ZYC GW9508, >=98% (HPLC) KB-148639 NCGC00167811-13 SMR000486399 4CA-0616 ANW-59227 BCP06803 CHEBI:93259 FT-0762512 HMS3269J09 MLS001065626 QCR-210 SW219168-1 3-(4-(3-phenoxybenzylamino)phenyl)propanoic acid AB0035924 Benzenepropanoic acid, 4-[[(3-phenoxyphenyl)methyl]amino]- CS-1286 GW-9508 HMS3653H19 NCGC00167811-01 SC-93652 Y0374 4-(3-Phenoxybenzylamino)phenylpropionic acid AKOS016002280 AOB6172 carboxylic acid agonist, 2 DTXSID70237088 HMS2197G09 KS-000008VB NCGC00261236-01 SR-01000780921 4T77GYP2CS BDBM22496 GTPL1050 HMS3355B18 MLS006010293 RT-013143 Tox21_500551 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid AJ-64456 BN0806 CTK8B8037 HY-15589 NCGC00167811-03 SCHEMBL364468 ZINC13831241 4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoic acid AM81256 AX8208187 CCG-221855 EX-A223 HMS3261P03 LP00551 Q-4542 SR-01000780921-3 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid 885101-89-3 [ Show all ]
Inchi Key	DGENZVKCTGIDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
PubChem CID	11595431
ChEMBL	CHEMBL207881
IUPHAR	1050
BindingDB	22496
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>3162.28 nM	PMID17240142	ChEMBL

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