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Ligand

NameCHEMBL1800936
Molecular formulaC18H23NO4
IUPAC name5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,3-diol
Molecular weight317.385
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP2.5
SynonymsBDBM50348426
SCHEMBL12333493
Inchi KeyKFRXJKMLZFERKO-KDOFPFPSSA-N
Inchi IDInChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
PubChem CID53380559
ChEMBLCHEMBL1800936
IUPHARN/A
BindingDB50348426
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
168051Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
168049Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
168050Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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