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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	2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate
Molecular formula	C14H19NOS
IUPAC name	[1-(1-adamantyl)-1-oxopropan-2-yl] thiocyanate
Molecular weight	249.372
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	CTK6A2912 SR-01000396892 AC1LBLMX MLS000720045 Propan-1-one, 1-(1-adamantanyl)-2-thiocyanato- HMS1608M05 SR-01000396892-1 AFHOTHXGVBTAHP-UHFFFAOYSA-N MolPort-003-722-102 CHEMBL1544162 SMR000304574 2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate # HMS2608B18 [1-(1-adamantyl)-1-oxopropan-2-yl] thiocyanate AKOS025150566 Oprea1_284307 [ Show all ]
Inchi Key	AFHOTHXGVBTAHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19NOS/c1-9(17-8-15)13(16)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-7H2,1H3
PubChem CID	584851
ChEMBL	CHEMBL1544162
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
4161	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463392	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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