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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	CHEMBL28056
Molecular formula	C25H22N2
IUPAC name	2-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]-3-methylbenzonitrile
Molecular weight	350.465
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	(6aR,aS)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile BDBM50098549 (6aR)-11-(2-Cyano-6-methylphenyl)-4,5,6a,7-tetrahydro-6-methyl-6H-dibenzo[de,g]quinoline 3-Methyl-2-((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile (6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
Inchi Key	APEZAWGOFKUHCA-JOCHJYFZSA-N
Inchi ID	InChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
PubChem CID	11725453
ChEMBL	CHEMBL28056
IUPHAR	N/A
BindingDB	50098549
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
10903	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
10906	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
10904	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448
10907	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
10905	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
10908	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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