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Ligand

NameReboxetine
Molecular formulaC19H23NO3
IUPAC name(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
Molecular weight313.397
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsEsreboxetine
(S,S)-reboxetine
Vestra
Reboxetine [INN]
98819-76-2
[ Show all ]
Inchi KeyCBQGYUDMJHNJBX-OALUTQOASA-N
Inchi IDInChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
PubChem CID65856
ChEMBLN/A
IUPHARN/A
BindingDB35226
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
381165-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
381135-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
381125-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
381175-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
381145-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
38115Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
555618Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
38111Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
38110Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
555619D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
555617D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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