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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	CHEMBL386408
Molecular formula	C17H21N5O2S
IUPAC name	5-(azepan-1-yl)-N,N-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-13-amine oxide
Molecular weight	359.448
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.3
Synonyms	BDBM50177051 9-(N,N-dimethyl-N-oxyamino)-3-(N-hexamethyleneiminyl)-3H-5-thia-1,3,6-triaza-fluoren-4-one 3-azepan-1-yl-9-(dimethylnitroryl)pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Inchi Key	AKXCOQICNDOOTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3
PubChem CID	11537767
ChEMBL	CHEMBL386408
IUPHAR	N/A
BindingDB	50177051
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
7994	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
7996	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
7993	Metabotropic glutamate receptor 5	P31424	Grm5	Rattus norvegicus (Rat)	1203
7995	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212

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