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Ligand

NameCHEMBL469884
Molecular formulaC26H30N2O4
IUPAC name4-[4-[2-[[(2R)-2-(4-aminophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight434.536
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50243062
4-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid
Inchi KeyAUGGMUVNPWIEHR-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H30N2O4/c1-17(2)32-25-15-21(9-12-23(25)26(30)31)19-5-3-18(4-6-19)13-14-28-16-24(29)20-7-10-22(27)11-8-20/h3-12,15,17,24,28-29H,13-14,16,27H2,1-2H3,(H,30,31)/t24-/m0/s1
PubChem CID24895671
ChEMBLCHEMBL469884
IUPHARN/A
BindingDB50243062
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
14611Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
14610Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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