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Ligand

NameCHEMBL100624
Molecular formulaC20H24N4O4S
IUPAC nameN-[4-[2-hydroxy-3-[(4-imidazol-1-ylphenyl)methylamino]propoxy]phenyl]methanesulfonamide
Molecular weight416.496
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.1
SynonymsBDBM50010838
N-{4-[2-Hydroxy-3-(4-imidazol-1-yl-benzylamino)-propoxy]-phenyl}-methanesulfonamide
1-[4-(1H-Imidazol-1-yl)benzylamino]-3-[4-(methylsulfonylamino)phenoxy]-2-propanol
Inchi KeyLGBOEQXBWBWQKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-8-20(9-5-17)28-14-19(25)13-22-12-16-2-6-18(7-3-16)24-11-10-21-15-24/h2-11,15,19,22-23,25H,12-14H2,1H3
PubChem CID14739893
ChEMBLCHEMBL100624
IUPHARN/A
BindingDB50010838
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
186486Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
186487Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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