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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	p-Toluenesulfonamide, N-(xanthen-9-yl)-
Molecular formula	C20H17NO3S
IUPAC name	4-methyl-N-(9H-xanthen-9-yl)benzenesulfonamide
Molecular weight	351.42
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide AC1Q6U4U BRD-K10852420-001-01-7 MolPort-000-248-957 AKOS001663516 CHEMBL3311302 NSC-31171 SR-01000492283-1 4-Methyl-N-(9H-xanthen-9-yl)-benzenesulfonamide AC1L5PAO BDBM50044874 IDI1_021346 Oprea1_382032 ZINC626613 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide # AH 7614 CCG-111864 N-Tosyl-9H-xanthene-9-amine SCHEMBL19260836 6326-06-3 B7792 ChemDiv3_003436 NSC31171 ST4034127 4-methyl-N-(9H-xanthen-9-yl)benzene-1-sulfonamide AC1Q2LOE Benzenesulfonamide, 4-methyl-N-(xanthen-9-yl)- MCULE-9692010752 OZCQEUZTOAAWDK-UHFFFAOYSA-N [(4-methylphenyl)sulfonyl]xanthen-9-ylamine 4-Methyl-N-9H-xanthen-9-yl-benzenesulfonamide AH-7614, >=98% (HPLC) N-xanthyl-p-toluenesulfonamide SR-01000492283 A1640/0070238 BAS 00534999 HMS1482M04 Oprea1_006107 STK325647 [ Show all ]
Inchi Key	OZCQEUZTOAAWDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
PubChem CID	233085
ChEMBL	CHEMBL3311302
IUPHAR	N/A
BindingDB	50044874
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	<31622.8 nM	PMID24881566	ChEMBL
EC50	>31623.0 nM	PMID24881566	BindingDB
IC50	79.0 nM	PMID24881566	BindingDB
IC50	79.43 nM	PMID24881566	ChEMBL

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