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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Free fatty acid receptor 4
Species	Homo sapiens (Human)
Gene	FFAR4
Synonym	PGR4 Omega-3 fatty acid receptor 1 O3FAR1 GT01 GPR129 GPR120 G-protein-coupled receptor GT01 G-protein coupled receptor PGR4 FFA4 receptor G-protein coupled receptor 129 G-protein coupled receptor 120 G protein-coupled receptor 129 G protein-coupled receptor 120 G-protein coupled receptor GT01 [ Show all ]
Disease	N/A
Length	377
Amino acid sequence	MSPECARAAGDAPLRSLEQANRTRFPFFSDVKGDHRLVLAAVETTVLVLIFAVSLLGNVCALVLVARRRRRGATACLVLNLFCADLLFISAIPLVLAVRWTEAWLLGPVACHLLFYVMTLSGSVTILTLAAVSLERMVCIVHLQRGVRGPGRRARAVLLALIWGYSAVAALPLCVFFRVVPQRLPGADQEISICTLIWPTIPGEISWDVSFVTLNFLVPGLVIVISYSKILQTSEHLLDARAVVTHSEITKASRKRLTVSLAYSESHQIRVSQQDFRLFRTLFLLMVSFFIMWSPIIITILLILIQNFKQDLVIWPSLFFWVVAFTFANSALNPILYNMTLCRNEWKKIFCCFWFPEKGAILTDTSVKRNDLSIISG
UniProt	Q5NUL3
Protein Data Bank	N/A
GPCR-HGmod model	Q5NUL3
3D structure model	This predicted structure model is from GPCR-EXP Q5NUL3.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5339
IUPHAR	127
DrugBank	BE0003399

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	GTPL1050 HMS3355B18 MLS006010293 RT-013143 Tox21_500551 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid AJ-64456 BDBM22496 BN0806 CTK8B8037 HY-15589 NCGC00167811-03 SCHEMBL364468 ZINC13831241 4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoic acid AM81256 CCG-221855 EX-A223 HMS3261P03 LP00551 Q-4542 SR-01000780921-3 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid 885101-89-3 AX8208187 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 CHEBI:93259 FT-0762512 HMS3269J09 MLS001065626 QCR-210 SW219168-1 3-(4-(3-phenoxybenzylamino)phenyl)propanoic acid AB0035924 BCP06803 Benzenepropanoic acid, 4-[[(3-phenoxyphenyl)methyl]amino]- CS-1286 GW-9508 HMS3653H19 NCGC00167811-01 SC-93652 Y0374 4-(3-Phenoxybenzylamino)phenylpropionic acid AKOS016002280 carboxylic acid agonist, 2 DTXSID70237088 HMS2197G09 KS-000008VB NCGC00261236-01 SR-01000780921 4T77GYP2CS AOB6172 [ 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
EC50	1412.54 nM	PMID22519963	BindingDB,ChEMBL
EC50	3467.37 nM	PMID16702987, PMID18827341	IUPHAR
Efficacy	102.0 %	PMID22519963	ChEMBL

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