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Ligand

NameCHEMBL602591
Molecular formulaC20H32N2O3S
IUPAC nameN-[3-(azepan-1-ylsulfonyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
Molecular weight380.547
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50304924
N-(3-(azepan-1-ylsulfonyl)-4,5-dimethylphenyl)-2,2-dimethylbutanamide
Inchi KeyBOFBXHXQNKHAHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H32N2O3S/c1-6-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)26(24,25)22-11-9-7-8-10-12-22/h13-14H,6-12H2,1-5H3,(H,21,23)
PubChem CID46224630
ChEMBLCHEMBL602591
IUPHARN/A
BindingDB50304924
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28729Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
28730Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
28731Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

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