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Ligand

NameCHEMBL2205829
Molecular formulaC19H19NO3
IUPAC name5-(1,3-benzodioxol-5-ylmethyl)-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
Molecular weight309.365
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50401367
Inchi KeyAVNYJOIRGGOFFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2
PubChem CID71452387
ChEMBLCHEMBL2205829
IUPHARN/A
BindingDB50401367
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: 31
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
154765-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
154815-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
154735-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
154705-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
154645-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
154745-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
154885-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
154805-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
15477Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
15478Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
15469Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
15487Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
15463Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
15475Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
15459Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
15460D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
15484D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
15489D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
15486D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
15485Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372

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