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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.
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GPCR

Name	Free fatty acid receptor 1
Species	Homo sapiens (Human)
Gene	FFAR1
Synonym	FFA1R G protein-coupled receptor 40 G-protein coupled receptor 40 GPR40 FFA1 receptor
Disease	Type 2 diabetes Non-insulin dependent diabetes Diabetes
Length	300
Amino acid sequence	MDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
UniProt	O14842
Protein Data Bank	5tzy, 5tzr
GPCR-HGmod model	O14842
3D structure model	This structure is from PDB ID 5tzy.
BioLiP	BL0380462, BL0380463, BL0380464
Therapeutic Target Database	T25608
ChEMBL	CHEMBL4422
IUPHAR	225
DrugBank	BE0000688

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	MCULE-9692010752 OZCQEUZTOAAWDK-UHFFFAOYSA-N [(4-methylphenyl)sulfonyl]xanthen-9-ylamine 4-methyl-N-(9H-xanthen-9-yl)benzene-1-sulfonamide AC1Q2LOE Benzenesulfonamide, 4-methyl-N-(xanthen-9-yl)- N-xanthyl-p-toluenesulfonamide SR-01000492283 4-Methyl-N-9H-xanthen-9-yl-benzenesulfonamide AH-7614, >=98% (HPLC) HMS1482M04 Oprea1_006107 STK325647 A1640/0070238 BAS 00534999 MolPort-000-248-957 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide AC1Q6U4U BRD-K10852420-001-01-7 CHEMBL3311302 NSC-31171 SR-01000492283-1 AKOS001663516 IDI1_021346 Oprea1_382032 ZINC626613 4-Methyl-N-(9H-xanthen-9-yl)-benzenesulfonamide AC1L5PAO BDBM50044874 N-Tosyl-9H-xanthene-9-amine SCHEMBL19260836 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide # AH 7614 CCG-111864 ChemDiv3_003436 NSC31171 ST4034127 6326-06-3 B7792 [ 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	<50118.7 nM	PMID24881566	ChEMBL
EC50	>50119.0 nM	PMID24881566	BindingDB
IC50	<25118.9 nM	PMID24881566	ChEMBL
IC50	>25119.0 nM	PMID24881566	BindingDB

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