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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	CHEMBL123769
Molecular formula	C36H37N3O6
IUPAC name	3-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-O-methyl 2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylate
Molecular weight	607.707
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	7.1
Synonyms	2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester BDBM50030624
Inchi Key	BXERZGFRIILESM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H37N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3
PubChem CID	44348163
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50030624
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
35010	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
35012	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
35011	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
35014	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
35013	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
35015	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462

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