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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	AC1L1AYE
Molecular formula	C22H35NO2
IUPAC name	4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	345.527
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.0
Synonyms	CTK6C5169 4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one NCI60_001923 4-[2-(1,6-dimethylpiperidin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Inchi Key	FMPNFDSPHNUFOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3
PubChem CID	1205
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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
82159	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
82160	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
82163	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
82161	Muscarinic acetylcholine receptor M4	P41986	CHRM4	Bos taurus (Bovine)	126
82162	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
82158	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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