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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	Grundmann's ketone
Molecular formula	C18H32O
IUPAC name	(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
Molecular weight	264.453
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	5.9
Synonyms	UNII-DR7NU6538E (1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one 66251-18-1 Grundmann'sketone CHEMBL2063142 ZINC34203072 Grundmann's ketone [MI] 1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one, (1R,3aR,7aR)- ATMUYWZMPLKPEJ-XLMAVXFVSA-N SCHEMBL13622370 DR7NU6538E 4H-Inden-4-one, 1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-, (1R,3aR,7aR)- Grundmann's ketone, (+)- [ Show all ]
Inchi Key	ATMUYWZMPLKPEJ-XLMAVXFVSA-N
Inchi ID	InChI=1S/C18H32O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-16H,5-12H2,1-4H3/t14-,15-,16+,18-/m1/s1
PubChem CID	10587733
ChEMBL	CHEMBL2063142
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
14130	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787

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