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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	CHEMBL491762
Molecular formula	C23H26O4
IUPAC name	9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
Molecular weight	366.457
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one MCULE-2029397187 9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one AKOS002528569 EU-0050644 SMR000137465 9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one CCJIUBMPDVWYLU-UHFFFAOYSA-N HMS2189A06 STK795484 A0231/0010415 CTK8G0454 MLS000532526 9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one # Cambridge id 5402453 GTPL1565 SR-01000507925 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one L152804 1H-Xanthen-1-one, 2,3,4,9-tetrahydro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl- AC1LDQPU D0C9XD MolPort-002-114-727 9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one CCG-25804 HMS1582P05 SR-01000507925-1 [ Show all ]
Inchi Key	CCJIUBMPDVWYLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19,24H,9-12H2,1-4H3
PubChem CID	624746
ChEMBL	CHEMBL491762
IUPHAR	1565
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
38637	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
38636	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
38639	Neuropeptide Y receptor type 4	P50391	NPY4R	Homo sapiens (Human)	375
38640	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445
553439	Neuropeptide Y receptor type 5	Q63634	Npy5r	Rattus norvegicus (Rat)	445

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