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Ligand

NameSalmeterol
Molecular formulaC25H37NO4
IUPAC name2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
Molecular weight415.574
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.9
SynonymsFT-0674509
HMS2052H13
( inverted question mark) 4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]m-ethyl]-1,3-benzenedimethanol; GR 33343X
K590
1,3-Benzenedimethanol, 4-hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-
[ Show all ]
Inchi KeyGIIZNNXWQWCKIB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
PubChem CID5152
ChEMBLCHEMBL1263
IUPHAR559
BindingDB25771
DrugBankDB00938

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
97212Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
97210Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
97211Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
97213Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
524376D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
445531D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
97214Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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