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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	C33H39NaO7S2
IUPAC name	sodium;2-(4-butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(7-hydroxyheptoxy)but-2-ynyl]phenyl]benzenesulfonate
Molecular weight	634.778
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	IHSPTYZLTBSZKL-UHFFFAOYSA-M
Inchi ID	InChI=1S/C33H40O7S2.Na/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);/q;+1/p-1
PubChem CID	44437417
ChEMBL	CHEMBL397081
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
133531	Lysophosphatidic acid receptor 2	Q9HBW0	LPAR2	Homo sapiens (Human)	351
133528	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
133530	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
133529	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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