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Ligand

NameCHEMBL229443
Molecular formulaC17H22N2O3
IUPAC name5-[(1S)-2-[[(2R)-1-(4-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
Molecular weight302.374
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP1.6
Synonyms(S,R)-(+)-5-[1-hydroxy-2-(1-methyl-2-phenylethylamino)ethyl]-1,3-benzenediol
BDBM50213100
Inchi KeyDQBZJEHRQMHGPO-PIGZYNQJSA-N
Inchi IDInChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17-/m1/s1
PubChem CID16735493
ChEMBLCHEMBL229443
IUPHARN/A
BindingDB50213100
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
66151Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
66152Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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