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Ligand

NameCHEMBL35459
Molecular formulaC21H28N2O4
IUPAC name2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]-2-methylpropanoic acid
Molecular weight372.465
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.6
SynonymsBDBM50409482
SCHEMBL6745689
2-[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]phenyl]amino]isobutyric acid
Inchi KeyHYRVDKQMFQOZAK-LIRRHRJNSA-N
Inchi IDInChI=1S/C21H28N2O4/c1-14(19(25)16-6-10-18(24)11-7-16)22-13-12-15-4-8-17(9-5-15)23-21(2,3)20(26)27/h4-11,14,19,22-25H,12-13H2,1-3H3,(H,26,27)/t14-,19-/m0/s1
PubChem CID10690668
ChEMBLCHEMBL35459
IUPHARN/A
BindingDB50409482
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
127309Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
127311Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
127310Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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