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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	MLS000080860
Molecular formula	C16H16O5S2
IUPAC name	(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
Molecular weight	352.419
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.4
Synonyms	(Z)-3,4-bis(phenylsulfonyl)but-2-en-1-ol HMS2394J10 AC1NTW5P (Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol CHEMBL1465527 (Z)-3,4-dibesylbut-2-en-1-ol BDBM36923 (Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol cid_5389617 SMR000043655 [ Show all ]
Inchi Key	AIAKDUWZCKEZRU-WJDWOHSUSA-N
Inchi ID	InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
PubChem CID	5389617
ChEMBL	CHEMBL1465527
IUPHAR	N/A
BindingDB	36923
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
6042	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
6040	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
6041	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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