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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	CHEMBL68827
Molecular formula	C21H27N7O4S
IUPAC name	N-(2-aminoethyl)-11-[2-(4-methylpiperazin-1-yl)acetyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
Molecular weight	473.552
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	-1.9
Synonyms	BDBM50012361 N-(2-Aminoethyl)-5,11-dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-6-oxo-6H-pyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide 11-[2-(4-Methyl-piperazin-1-yl)-acetyl]-6-oxo-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepine-8-sulfonic acid (2-amino-ethyl)-amide
Inchi Key	AIOXTPIXYCASBM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27N7O4S/c1-26-9-11-27(12-10-26)14-19(29)28-18-5-4-15(33(31,32)24-8-6-22)13-16(18)21(30)25-17-3-2-7-23-20(17)28/h2-5,7,13,24H,6,8-12,14,22H2,1H3,(H,25,30)
PubChem CID	15050934
ChEMBL	CHEMBL68827
IUPHAR	N/A
BindingDB	50012361
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
6412	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
6411	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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