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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	CHEMBL158311
Molecular formula	C34H40N8O2S2
IUPAC name	1-(3-isothiocyanatophenyl)-3-[8-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]octyl]thiourea
Molecular weight	656.868
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	5.3
Synonyms	N/A
Inchi Key	AMKANZICHZVXTJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H40N8O2S2/c43-31(42-30-15-6-5-13-28(30)33(44)39-29-14-10-17-35-32(29)42)24-41-21-19-40(20-22-41)18-8-4-2-1-3-7-16-36-34(46)38-27-12-9-11-26(23-27)37-25-45/h5-6,9-15,17,23H,1-4,7-8,16,18-22,24H2,(H,39,44)(H2,36,38,46)
PubChem CID	15678853
ChEMBL	CHEMBL158311
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
8971	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

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