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Ligand

NameCHEMBL1259113
Molecular formulaC20H25N3S
IUPAC name[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanamine
Molecular weight339.501
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
Synonyms(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)methanamine
BDBM50328497
Inchi KeyJTFHPPAFIYXSHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
PubChem CID52942381
ChEMBLCHEMBL1259113
IUPHARN/A
BindingDB50328497
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159380Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
159381Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
159379Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
159378D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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