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Ligand

NameCHEMBL305808
Molecular formulaC19H26N2O6S
IUPAC nameN-[2-hydroxy-5-[(2R)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
Molecular weight410.485
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.4
SynonymsBDBM50290495
N-(2-Hydroxy-5-{2-hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-propoxy}-phenyl)-methanesulfonamide
Inchi KeyBGJYDTIRALRSBD-OAHLLOKOSA-N
Inchi IDInChI=1S/C19H26N2O6S/c1-26-16-5-3-14(4-6-16)9-10-20-12-15(22)13-27-17-7-8-19(23)18(11-17)21-28(2,24)25/h3-8,11,15,20-23H,9-10,12-13H2,1-2H3/t15-/m1/s1
PubChem CID44311779
ChEMBLCHEMBL305808
IUPHARN/A
BindingDB50290495
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
23070Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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