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Ligand

NameCHEMBL95727
Molecular formulaC20H28N2O5S
IUPAC nameN-[4-[[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]methyl]phenyl]methanesulfonamide
Molecular weight408.513
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.5
SynonymsN-[4-({2-Hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propylamino}-methyl)-phenyl]-methanesulfonamide
1-[4-(Methylsulfonylamino)benzylamino]-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
SCHEMBL8781128
BDBM50010830
Inchi KeyJBIIIJUBMKGJTB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3
PubChem CID14739891
ChEMBLCHEMBL95727
IUPHARN/A
BindingDB50010830
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
146706Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
146705Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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