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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	(hydroxymethylphenyl)agomelatine
Molecular formula	C22H23NO3
IUPAC name	N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
Molecular weight	349.43
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.5
Synonyms	compound 21 [PMID: 18778943] N-[2-(3-(3-hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl] acetamide D07BKH N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide CHEMBL476131 GTPL7922 BDBM50263659 SCHEMBL5929469 [ Show all ]
Inchi Key	BHDVJMSEODZSTD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)
PubChem CID	9798456
ChEMBL	CHEMBL476131
IUPHAR	7922
BindingDB	50263659
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
23666	Melatonin receptor type 1A	P48039	MTNR1A	Homo sapiens (Human)	350
23665	Melatonin receptor type 1B	P49286	MTNR1B	Homo sapiens (Human)	362

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