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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	CHEMBL3979588
Molecular formula	C20H13FN2O3S
IUPAC name	4-[3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-5-fluorophenoxy]benzonitrile
Molecular weight	380.393
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.5
Synonyms	BDBM50196400
Inchi Key	AEESKWDRFZVEKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H13FN2O3S/c21-16-9-17(23-13-15-3-1-2-4-20(15)27(23,24)25)11-19(10-16)26-18-7-5-14(12-22)6-8-18/h1-11H,13H2
PubChem CID	134152545
ChEMBL	CHEMBL3979588
IUPHAR	N/A
BindingDB	50196400
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	1659.59 nM	PMID27570890	ChEMBL
EC50	1660.0 nM	PMID27570890	BindingDB
EC50	2344.0 nM	PMID27570890	BindingDB
EC50	2344.23 nM	PMID27570890	ChEMBL
Emax	29.0 %	PMID27570890	ChEMBL
Emax	87.0 %	PMID27570890	ChEMBL

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