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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	TAK-875
Molecular formula	C29H32O7S
IUPAC name	2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight	524.628
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.7
Synonyms	AOB2992 CHEMBL1829174 Fasiglifam [USAN:INN] NCGC00346669-01 SCHEMBL204652 [(3S)-6-([2',6'-DIMETHYL-4'-[3-(METHYLSULFONYL)PROPOXY]BIPHENYL-3-YL]METHOXY)-2,3-DIHYDRO-1-BENZOFURAN-3-YL]ACETIC ACID (3S)-6-[[2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-3-benzofuranacetic acid AB0033816 BDBM50386790 D10336 HY-10480 Q-4156 TAK-875(Fasiglifam) 1000413-72-8 , TAK875 , TAK 875 AK170559 cc-64 Fasiglifam KS-00001CRE RL00413 X7587 3-Benzofuranacetic acid, 6-[[2',6'-diMethyl-4'-[3-(Methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]Methoxy]-2,3-dihydro-, (3S)- AT-35664 CS-0282 GLP1W4JXAH PB24359 TAK 875 [(3s)-6-({2',6'-Dimethyl-4'-[3-(Methylsulfonyl)propoxy]biphenyl-3-Yl}methoxy)-2,3-Dihydro-1-Benzofuran-3-Yl]acetic Acid (S)-2-(6-((2',6'-Dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid ABP000968 BZCALJIHZVNMGJ-HSZRJFAPSA-N DB12491 J-501277 QCR-231 TAK875 2-[(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid AKOS025289552 Fasiglifam (INN) MolPort-023-293-501 SC-86271 ZINC68208039 ((3S)-6-((3-(4-(3-Methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic acid 4phu A8339 BCP02430 D0V1WQ GTPL6484 PubChem24441 [(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid 1000413-72-8 AC-25651 C29H32O7S EX-A203 KB-80796 RL00005 UNII-GLP1W4JXAH 2YB [ Show all ]
Inchi Key	BZCALJIHZVNMGJ-HSZRJFAPSA-N
Inchi ID	InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
PubChem CID	24857286
ChEMBL	CHEMBL1829174
IUPHAR	6484
BindingDB	50386790
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID24900210	BindingDB

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