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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	CHEMBL112244
Molecular formula	C36H59N7O2
IUPAC name	11-[2-[6-[8-[6-aminohexyl(methyl)amino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	621.915
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.3
Synonyms	BDBM50407222 11-(1-Oxo-10,19-dimethyl-3,10,19,26-tetraazahexacosane-1-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
Inchi Key	CVYMNORESIPOLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
PubChem CID	14939893
ChEMBL	CHEMBL112244
IUPHAR	N/A
BindingDB	50407222
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
51899	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
51897	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
51900	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
51898	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
51901	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478

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