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Ligand

NameAK114517
Molecular formulaC17H28O2
IUPAC name[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-2-tricyclo[5.3.1.01,5]undecanyl] acetate
Molecular weight264.409
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.3
SynonymsW-104309
7-methanoazulen-6-ol-6-acetate
MolPort-023-221-753
AKOS016010232
ZINC85210706
[ Show all ]
Inchi KeyOETMLOBORLMQPE-YIUHCBHRSA-N
Inchi IDInChI=1S/C17H28O2/c1-11-6-9-17-10-13(11)15(3,4)14(17)7-8-16(17,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,16-,17+/m1/s1
PubChem CID54146524
ChEMBLCHEMBL3727698
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
528409Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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