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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL158749
Molecular formulaC17H23NO
IUPAC name(1S,2R)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Molecular weight257.377
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50046596
N,1alpha-Diallyl-8-methoxy-2alpha-tetralinamine
SCHEMBL8675781
Allyl-(1-allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine
Inchi KeyAHJAFUBWGNVAPG-HUUCEWRRSA-N
Inchi IDInChI=1S/C17H23NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h4-6,8-9,14-15,18H,1-2,7,10-12H2,3H3/t14-,15-/m1/s1
PubChem CID10015338
ChEMBLCHEMBL158749
IUPHARN/A
BindingDB50046596
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
55985-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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