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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	CHEMBL397081
Molecular formula	C33H39O7S2-
IUPAC name	2-(4-butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(7-hydroxyheptoxy)but-2-ynyl]phenyl]benzenesulfonate
Molecular weight	611.788
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	6.0
Synonyms	BDBM50208895 sodium 4-[(4-butoxyphenyl)thio]-20-[1-hydroxy-4-[(5-hydroxyheptyl)oxy]but-2-yn-1-yl]biphenyl-3-sulfonate
Inchi Key	OPAWVWSRPLYKHZ-UHFFFAOYSA-M
Inchi ID	InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
PubChem CID	91971078
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50208895
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
246831	Lysophosphatidic acid receptor 2	Q9HBW0	LPAR2	Homo sapiens (Human)	351
246828	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
246829	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
246830	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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