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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	CHEMBL304112
Molecular formula	C30H30N6O4
IUPAC name	2-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione
Molecular weight	538.608
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	2-(4-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-butyl)-isoindole-1,3-dione BDBM50012331 5,11-Dihydro-11-[[4-[4-(phthaloylamino)butyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Inchi Key	BVHKIDFKISASAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H30N6O4/c37-26(36-25-12-4-3-10-23(25)28(38)32-24-11-7-13-31-27(24)36)20-34-18-16-33(17-19-34)14-5-6-15-35-29(39)21-8-1-2-9-22(21)30(35)40/h1-4,7-13H,5-6,14-20H2,(H,32,38)
PubChem CID	15050955
ChEMBL	CHEMBL304112
IUPHAR	N/A
BindingDB	50012331
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
33722	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
33721	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
33724	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
33723	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478

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