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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL119323
Molecular formulaC13H16BrNO2
IUPAC name[(4S,7R)-11-bromo-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-yl]methanamine
Molecular weight298.18
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.0
SynonymsC-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-5-yl)-methylamine
BDBM50131668
Inchi KeyAUCHXXIFGAHPKU-JGVFFNPUSA-N
Inchi IDInChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8+/m0/s1
PubChem CID11066440
ChEMBLCHEMBL119323
IUPHARN/A
BindingDB50131668
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145045-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
145055-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
145065-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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