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Ligand

NameDothiepin
Molecular formulaC19H21NS
IUPAC name3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular weight295.444
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.5
Synonyms11-(3-Dimethylaminopropyliden)-6,11-dihydrodibenz-(b,e)thiepin
4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride
Prestwick1_000488
AKOS030239801
113-53-1
[ Show all ]
Inchi KeyPHTUQLWOUWZIMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NS/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
PubChem CID3155
ChEMBLN/A
IUPHARN/A
BindingDB82548
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2600925-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5564885-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
260098Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
260099Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
260094Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
260097Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
260096Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
260100Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
260095Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
260093Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
260101Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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