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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	CHEMBL115658
Molecular formula	C27H27NO5S
IUPAC name	3-[[6-[(E)-2-carboxyethenyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid
Molecular weight	477.575
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM50037376 SCHEMBL8066017 3-[[[[5-[(4-Phenylbutyl)oxy]-6-[(E)-2-carboxyethenyl]pyridin-2-yl]methyl]thio]methyl]benzoic acid 3-[6-((E)-2-Carboxy-vinyl)-5-(4-phenyl-butoxy)-pyridin-2-ylmethylsulfanylmethyl]-benzoic acid
Inchi Key	AYQLHLVAMFCCJH-FYWRMAATSA-N
Inchi ID	InChI=1S/C27H27NO5S/c29-26(30)15-13-24-25(33-16-5-4-9-20-7-2-1-3-8-20)14-12-23(28-24)19-34-18-21-10-6-11-22(17-21)27(31)32/h1-3,6-8,10-15,17H,4-5,9,16,18-19H2,(H,29,30)(H,31,32)/b15-13+
PubChem CID	10050724
ChEMBL	CHEMBL115658
IUPHAR	N/A
BindingDB	50037376
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
17694	Leukotriene B4 receptor 1	Q15722	LTB4R	Homo sapiens (Human)	352

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