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Ligand

NameCHEMBL496341
Molecular formulaC26H37N3O5S
IUPAC nameN-(6-aminohexyl)-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
Molecular weight503.658
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.7
SynonymsN/A
Inchi KeyCLHRVZPDIUCNJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H37N3O5S/c1-19-8-10-21(11-9-19)35(31,32)29-15-12-20-16-24(33-2)25(34-3)17-22(20)23(29)18-26(30)28-14-7-5-4-6-13-27/h8-11,16-17,23H,4-7,12-15,18,27H2,1-3H3,(H,28,30)
PubChem CID24970502
ChEMBLCHEMBL496341
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
44732B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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