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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	CHEMBL302604
Molecular formula	C24H31N7O3
IUPAC name	4-amino-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]butanamide
Molecular weight	465.558
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-1.2
Synonyms	4-amino-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]butanamide 5,11-Dihydro-11-[[4-[2-(4-aminobutyrylamino)ethyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one 4-Amino-N-(2-(4-[2-oxo-2-(6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinyl)ethyl)butanamide # AINOAUBSOCDMCN-UHFFFAOYSA-N 5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]-1-[4-piperazin-1-yl(acetyl)]pyrido[2,3-b][1,4]benzodiazepin-6-one 4-Amino-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)-butyramide BDBM50012342 5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]piperazinoacetyl-1-pyrido[1,2-b]benz[1,4]diazepin-6-one AC1LBU0L [ Show all ]
Inchi Key	AINOAUBSOCDMCN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N7O3/c25-9-3-8-21(32)26-11-12-29-13-15-30(16-14-29)17-22(33)31-20-7-2-1-5-18(20)24(34)28-19-6-4-10-27-23(19)31/h1-2,4-7,10H,3,8-9,11-17,25H2,(H,26,32)(H,28,34)
PubChem CID	542182
ChEMBL	CHEMBL302604
IUPHAR	N/A
BindingDB	50012342
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
6383	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
6384	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
6385	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589

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