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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

NameCHEMBL158210
Molecular formulaC16H21NO
IUPAC name(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight243.35
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.4
Synonyms8-Allyl-7-allylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
1alpha-Allyl-2alpha-(allylamino)tetralin-8-ol
BDBM50046598
SCHEMBL8673169
Inchi KeyAJDDPGPDUSAKBQ-ZIAGYGMSSA-N
Inchi IDInChI=1S/C16H21NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3-5,7-8,13-14,17-18H,1-2,6,9-11H2/t13-,14-/m1/s1
PubChem CID10466960
ChEMBLCHEMBL158210
IUPHARN/A
BindingDB50046598
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
68055-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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