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Ligand

NameCHEMBL32470
Molecular formulaC26H30N2O4
IUPAC name2-[N-benzyl-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid
Molecular weight434.536
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50409484
[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]phenyl](benzyl)amino]acetic acid
Inchi KeyCOCADCWEWYXGFA-SIBVEZHUSA-N
Inchi IDInChI=1S/C26H30N2O4/c1-19(26(32)22-9-13-24(29)14-10-22)27-16-15-20-7-11-23(12-8-20)28(18-25(30)31)17-21-5-3-2-4-6-21/h2-14,19,26-27,29,32H,15-18H2,1H3,(H,30,31)/t19-,26-/m0/s1
PubChem CID11797099
ChEMBLCHEMBL32470
IUPHARN/A
BindingDB50409484
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
46536Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
46538Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
46537Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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