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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	CHEMBL561028
Molecular formula	C24H27NO
IUPAC name	1-[3-[(1R,10R,13S)-15-methyl-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-6-yl]phenyl]ethanone
Molecular weight	345.486
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.5
Synonyms	BDBM50294067 SCHEMBL14184309 1-[3-((4bR,6aS,9aR)-8-Methyl-5,6,6a,7,8,9,10,11-octahydro-4bH-benz[4,5]indeno[1,7a-c]pyrrol-2-yl)-phenyl]-ethanone
Inchi Key	AAYGPIMYNPLWPB-JRFVFWCSSA-N
Inchi ID	InChI=1S/C24H27NO/c1-16(26)17-4-3-5-18(12-17)19-6-8-22-20(13-19)10-11-24-15-25(2)14-21(24)7-9-23(22)24/h3-6,8,12-13,21,23H,7,9-11,14-15H2,1-2H3/t21-,23-,24+/m1/s1
PubChem CID	44221713
ChEMBL	CHEMBL561028
IUPHAR	N/A
BindingDB	50294067
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
616	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
617	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445

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