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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	CHEMBL364058
Molecular formula	C23H32O8
IUPAC name	methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-6a,10b-dimethyl-4,10-dioxo-2-(oxolan-3-yl)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight	436.501
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.2
Synonyms	(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-dimethyl-4,10-dioxo-2-((R)-tetrahydrofuran-3-yl)-dodecahydro-1H-benzo[f]isochromene-7-carboxylate BDBM50159168
Inchi Key	BZHHZFMVJDKCIW-OMLLRXPVSA-N
Inchi ID	InChI=1S/C23H32O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1
PubChem CID	11351067
ChEMBL	CHEMBL364058
IUPHAR	N/A
BindingDB	50159168
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
36451	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
36450	Kappa-type opioid receptor	P34975	Oprk1	Rattus norvegicus (Rat)	380
36452	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
36449	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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