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Ligand

NameBDBM50081825
Molecular formulaC38H46N6O4
IUPAC name6-(4-aminobutyl)-5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxamide
Molecular weight650.824
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.3
Synonyms2-(4-Amino-butyl)-6-methyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-amide 3-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}
Inchi KeyBERGTWZFNNPONR-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)
PubChem CID91931168
ChEMBLN/A
IUPHARN/A
BindingDB50081825
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21830Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
21831Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
21832Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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