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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	CHEMBL170205
Molecular formula	C21H35NO2
IUPAC name	(3S,3aR,4R,4aS,8aR,9aS)-3-methyl-4-(3-piperidin-1-ylpropyl)-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	333.516
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.0
Synonyms	(3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-(3-piperidin-1-yl-propyl)-decahydro-naphtho[2,3-c]furan-1-one (3S)-3beta-Methyl-4alpha-(3-piperidinopropyl)-1,3,3abeta,4,4aalpha,5,6,7,8,8abeta,9,9abeta-dodecahydronaphtho[2,3-c]furan-1-one BDBM50076096
Inchi Key	ANBSDISLLOPZAN-HMGBVJPOSA-N
Inchi ID	InChI=1S/C21H35NO2/c1-15-20-18(10-7-13-22-11-5-2-6-12-22)17-9-4-3-8-16(17)14-19(20)21(23)24-15/h15-20H,2-14H2,1H3/t15-,16+,17-,18+,19-,20+/m0/s1
PubChem CID	44382858
ChEMBL	CHEMBL170205
IUPHAR	N/A
BindingDB	50076096
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
9420	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
9419	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466

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