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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL2179472
Molecular formula	C29H32O7S
IUPAC name	2-[(3R)-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	(R)-(-)-TAK-875 ZINC95553218 BZCALJIHZVNMGJ-QHCPKHFHSA-N (R)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid CS-M3081 BCP28691 [(3R)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)2,3-dihydro-1-benzofuran-3-yl]acetic acid 1234474-57-7 SCHEMBL16448793 BDBM50400237 [ Show all ]
Inchi Key	BZCALJIHZVNMGJ-QHCPKHFHSA-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-/m0/s1
PubChem CID	71457285
ChEMBL	CHEMBL2179472
IUPHAR	N/A
BindingDB	50400237
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
36313	Free fatty acid receptor 1	O14842	FFAR1	Homo sapiens (Human)	300
36314	Free fatty acid receptor 1	Q8K3T4	Ffar1	Rattus norvegicus (Rat)	300

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