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Ligand

NameCHEMBL1259158
Molecular formulaC25H33N3OS
IUPAC name2,2-dimethyl-N-[[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl]propanamide
Molecular weight423.619
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50328502
N-((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)methyl)pivalamide
Inchi KeyCKLAPTDGXNWXQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3OS/c1-25(2,3)24(29)26-17-18-9-10-23-20(15-18)21(28-13-11-27(4)12-14-28)16-19-7-5-6-8-22(19)30-23/h5-10,15,21H,11-14,16-17H2,1-4H3,(H,26,29)
PubChem CID49781894
ChEMBLCHEMBL1259158
IUPHARN/A
BindingDB50328502
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
44149Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
44148Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
44151Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
44150D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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