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Ligand

Namedoxepin
Molecular formulaC19H21NO
IUPAC name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular weight279.383
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.3
Synonyms(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
BRD-K37694030-003-02-8
cis-doxepin
Doxepin (Z)-isomer
NSC 108160
[ Show all ]
Inchi KeyODQWQRRAPPTVAG-BOPFTXTBSA-N
Inchi IDInChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
PubChem CID667468
ChEMBLCHEMBL101740
IUPHARN/A
BindingDB50079527
DrugBankDB01142

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 28
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2387035-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2387085-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5564095-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2387025-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2386875-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
2386985-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2386925-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2387065-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
238699Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
238705Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
238704Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
238690Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
238688Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
238707Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
238709Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
238697D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
238695Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
238696Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
238701Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
238684Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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