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Ligand

NameCHEMBL457807
Molecular formulaC22H24BrN3O2
IUPAC nameN-[2-[2-[(5-bromo-2,3-dihydroindol-1-yl)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
Molecular weight442.357
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50266451
N-(2-{2-[(5-Bromo-2,3-dihydro-1H-indol-1yl)methyl)]-5-methoxy-1H-indole-3-yl}ethyl)acetamide
Inchi KeyBAJRMGIGHLXDAM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24BrN3O2/c1-14(27)24-9-7-18-19-12-17(28-2)4-5-20(19)25-21(18)13-26-10-8-15-11-16(23)3-6-22(15)26/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,27)
PubChem CID25209999
ChEMBLCHEMBL457807
IUPHARN/A
BindingDB50266451
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18930Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
18931Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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