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Ligand

NameCHEMBL318956
Molecular formulaC21H22N2O2
IUPAC name(1S)-17,18-dimethoxy-1,3,11,12,14,21-hexahydroyohimban
Molecular weight334.419
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL16563969
ADXLVAIEPFQCAH-SFHVURJKSA-N
(S)-2,3-dimethoxy-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline
Inchi KeyADXLVAIEPFQCAH-SFHVURJKSA-N
Inchi IDInChI=1S/C21H22N2O2/c1-24-19-10-13-9-18-21-16(15-5-3-4-6-17(15)22-21)7-8-23(18)12-14(13)11-20(19)25-2/h3-6,10-11,18,22H,7-9,12H2,1-2H3/t18-/m0/s1
PubChem CID14521237
ChEMBLCHEMBL318956
IUPHARN/A
BindingDBN/A
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
32065-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479

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