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Ligand

NameCHEMBL48558
Molecular formulaC18H24N2O4S
IUPAC nameN-(2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizin-2-yl)-2-hydroxy-N-methylethanesulfonamide
Molecular weight364.46
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50021196
SCHEMBL8085166
2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexahydro-2H-11-oxa-4a-aza-benzo[a]fluoren-2-yl)-methyl-amide
Inchi KeyKPPZSBMFUSDGBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3
PubChem CID13938356
ChEMBLCHEMBL48558
IUPHARN/A
BindingDB50021196
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
175034Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
175033Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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