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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	CHEMBL2013045
Molecular formula	C23H34N2O4S
IUPAC name	1'-cyclobutyl-6-(1-methylsulfonylpiperidin-4-yl)oxyspiro[3,4-dihydrochromene-2,4'-piperidine]
Molecular weight	434.595
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.4
Synonyms	BDBM50379611 SCHEMBL11918368
Inchi Key	BFKPZXXQVYWHKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3
PubChem CID	57345658
ChEMBL	CHEMBL2013045
IUPHAR	N/A
BindingDB	50379611
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
22401	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
22402	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
22403	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
22405	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445
22404	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390

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