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Ligand

Name81262-70-6
Molecular formulaC11H15NO2
IUPAC name(2R)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Molecular weight193.246
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
SynonymsPDSP1_001408
(-)-3,4-Methylenedioxymethamphetamine
CAS_64057-70-1
ZINC403053
1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl-, (alphaR)-
[ Show all ]
Inchi KeySHXWCVYOXRDMCX-MRVPVSSYSA-N
Inchi IDInChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m1/s1
PubChem CID667458
ChEMBLCHEMBL382757
IUPHARN/A
BindingDB86234
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
3147625-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
314763Trace amine-associated receptor 1Q8HZ64TAAR1Macaca mulatta (Rhesus macaque)338

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