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Ligand

NameCHEMBL538520
Molecular formulaC16H16BrNO2
IUPAC name(1S,3S)-1-(aminomethyl)-6-bromo-3-phenyl-3,4-dihydro-1H-isochromen-5-ol
Molecular weight334.213
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50008829
1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hydrochloride
CHEMBL1189332
(1S)-1beta-(Aminomethyl)-6-bromo-3,4-dihydro-3alpha-phenyl-1H-2-benzopyran-5-ol
Inchi KeySIPQEKQXLUBVAY-LSDHHAIUSA-N
Inchi IDInChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15+/m0/s1
PubChem CID15711870
ChEMBLN/A
IUPHARN/A
BindingDB50008829
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
567146D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
315301D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
315302D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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