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Ligand

NameCHEMBL3290997
Molecular formulaC30H32N2O4
IUPAC name4-[(1R)-1-hydroxy-2-[2-[4-(4-methoxy-3-phenylanilino)phenyl]ethylamino]ethyl]-2-(hydroxymethyl)phenol
Molecular weight484.596
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP5.0
SynonymsBDBM50018587
SCHEMBL3838492
Inchi KeyCJOMMFVMZGNTNI-LJAQVGFWSA-N
Inchi IDInChI=1S/C30H32N2O4/c1-36-30-14-12-26(18-27(30)22-5-3-2-4-6-22)32-25-10-7-21(8-11-25)15-16-31-19-29(35)23-9-13-28(34)24(17-23)20-33/h2-14,17-18,29,31-35H,15-16,19-20H2,1H3/t29-/m0/s1
PubChem CID10128077
ChEMBLCHEMBL3290997
IUPHARN/A
BindingDB50018587
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43564Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
43565Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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