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Ligand

NameCHEMBL418460
Molecular formulaC16H21NO
IUPAC name9,13-dimethyl-13-azatetracyclo[7.5.1.01,12.03,8]pentadeca-3(8),4,6-trien-6-ol
Molecular weight243.35
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.0
Synonyms9,13-dimethyl-13-azatetracyclo[7.5.1.01,12.03,8]pentadeca-3,5,7-trien-6-ol
BDBM50050483
Inchi KeyHUBOTCKKRXYMHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21NO/c1-15-6-5-14-16(9-15,10-17(14)2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10H2,1-2H3
PubChem CID44301533
ChEMBLCHEMBL418460
IUPHARN/A
BindingDB50050483
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
124139Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
124140Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
124141Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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