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Ligand

Name2,4-dibromomelatonin
Molecular formulaC13H14Br2N2O2
IUPAC nameN-[2-(2,4-dibromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight390.075
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.3
SynonymsN-[2-(2,4-Dibromo-5-methoxy-1H-indole-3-yl)ethyl]acetamide
SCHEMBL1309348
CHEMBL127134
Inchi KeyYRGTYQWTBUFELP-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H14Br2N2O2/c1-7(18)16-6-5-8-11-9(17-13(8)15)3-4-10(19-2)12(11)14/h3-4,17H,5-6H2,1-2H3,(H,16,18)
PubChem CID10691778
ChEMBLCHEMBL127134
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
417368Melatonin receptor type 1CP49288Gallus gallus (Chicken)346

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