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Ligand

NameCHEMBL172042
Molecular formulaC18H20N2O5
IUPAC name1-(3,4,5-trimethoxyanilino)-3,4-dihydroisoquinoline-6,7-diol
Molecular weight344.367
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.9
Synonyms1-(3,4,5-Trimethoxyanilino)-3,4-dihydroisoquinoline-6,7-diol
BDBM50422207
Inchi KeyAPHBGWNPNNHZML-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O5/c1-23-15-7-11(8-16(24-2)17(15)25-3)20-18-12-9-14(22)13(21)6-10(12)4-5-19-18/h6-9,21-22H,4-5H2,1-3H3,(H,19,20)
PubChem CID135528684
ChEMBLCHEMBL172042
IUPHARN/A
BindingDB50422207
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
557603Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
557604Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
557602Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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