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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	CHEMBL103189
Molecular formula	C23H26N4OS
IUPAC name	11-[2-[(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethanethioyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	406.548
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.4
Synonyms	BDBM50082335 11-((S)-2-Octahydro-quinolizin-1-yl-thioacetyl)-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
Inchi Key	AGKOAFGRVCVBFH-CVMIBEPCSA-N
Inchi ID	InChI=1S/C23H26N4OS/c28-23-17-8-1-2-11-20(17)27(22-18(25-23)9-5-12-24-22)21(29)15-16-7-6-14-26-13-4-3-10-19(16)26/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,28)/t16?,19-/m0/s1
PubChem CID	44333822
ChEMBL	CHEMBL103189
IUPHAR	N/A
BindingDB	50082335
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
4961	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
4962	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
4960	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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