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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	CHEMBL422407
Molecular formula	C25H31N7O4
IUPAC name	3-acetamido-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]propanamide
Molecular weight	493.568
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-1.3
Synonyms	5,11-Dihydro-11-[[4-[2-[3-(acetylamino)propanoylamino]ethyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one 3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-ethyl)-propionamide BDBM50012358
Inchi Key	FTSYUMRTYVZTSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31N7O4/c1-18(33)26-10-8-22(34)27-11-12-30-13-15-31(16-14-30)17-23(35)32-21-7-3-2-5-19(21)25(36)29-20-6-4-9-28-24(20)32/h2-7,9H,8,10-17H2,1H3,(H,26,33)(H,27,34)(H,29,36)
PubChem CID	15050951
ChEMBL	CHEMBL422407
IUPHAR	N/A
BindingDB	50012358
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
87081	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
87080	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
87079	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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