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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	CHEMBL491419
Molecular formula	C28H33N3O4
IUPAC name	1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-[(2-phenoxypyridin-3-yl)methoxy]ethyl]-1,4-diazepane
Molecular weight	475.589
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-(2-((2-phenoxypyridin-3-yl)methoxy)ethyl)-1,4-diazepane BDBM50263724
Inchi Key	AFRRMVBYOMNLHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
PubChem CID	44579271
ChEMBL	CHEMBL491419
IUPHAR	N/A
BindingDB	50263724
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
4417	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
4416	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
4415	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462

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