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Ligand

Name2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate
Molecular formulaC14H19NOS
IUPAC name[1-(1-adamantyl)-1-oxopropan-2-yl] thiocyanate
Molecular weight249.372
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.7
SynonymsAC1LBLMX
MLS000720045
Propan-1-one, 1-(1-adamantanyl)-2-thiocyanato-
HMS1608M05
SR-01000396892-1
[ Show all ]
Inchi KeyAFHOTHXGVBTAHP-UHFFFAOYSA-N
Inchi IDInChI=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 CID584851
ChEMBLCHEMBL1544162
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4161Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463392Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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