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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	BDBM46978
Molecular formula	C16H17NO4S
IUPAC name	(4-hydroxy-2-methyl-5-prop-1-en-2-ylanilino) benzenesulfonate
Molecular weight	319.375
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.5
Synonyms	benzenesulfonic acid [(Z)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester benzenesulfonic acid [(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester cid_1909670 benzenesulfonic acid [(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester [(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
Inchi Key	BFQSXMLNYMUQOI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17NO4S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3
PubChem CID	91896694
ChEMBL	N/A
IUPHAR	N/A
BindingDB	46978
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
22569	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
22570	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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