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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	CHEMBL68446
Molecular formula	C36H48N6O3
IUPAC name	11-[2-[4-[10-[(2-methoxyphenyl)methylamino]decyl]piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	612.819
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.7
Synonyms	11-(2-{4-[10-(2-Methoxy-benzylamino)-decyl]-piperazin-1-yl}-acetyl)-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one BDBM50012336 5,11-Dihydro-11-[[4-[10-(2-methoxybenzylamino)decyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Inchi Key	CYSAQAWEGRPUEE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H48N6O3/c1-45-33-19-11-8-15-29(33)27-37-20-12-6-4-2-3-5-7-13-22-40-23-25-41(26-24-40)28-34(43)42-32-18-10-9-16-30(32)36(44)39-31-17-14-21-38-35(31)42/h8-11,14-19,21,37H,2-7,12-13,20,22-28H2,1H3,(H,39,44)
PubChem CID	15050961
ChEMBL	CHEMBL68446
IUPHAR	N/A
BindingDB	50012336
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
53908	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
53909	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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