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Ligand

NameCHEMBL493283
Molecular formulaC26H29NO4
IUPAC nameN-[[(2R)-5,5-diphenyl-1,4-dioxan-2-yl]methyl]-2-(2-methoxyphenoxy)ethanamine
Molecular weight419.521
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50412786
Inchi KeyDSZAPUPSEUYRJU-HSZRJFAPSA-N
Inchi IDInChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)29-17-16-27-18-23-19-31-26(20-30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1
PubChem CID44568917
ChEMBLCHEMBL493283
IUPHARN/A
BindingDB50412786
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
681065-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
68109Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
68110Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
68105Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
68108Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
68104Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
68107Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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