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Ligand

NameCHEMBL457998
Molecular formulaC25H23N3O3S
IUPAC nameN-(6-methoxypyridin-3-yl)-N-[[5-(2-methylphenyl)pyridin-2-yl]methyl]benzenesulfonamide
Molecular weight445.537
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50413719
Inchi KeyBTVQVJDHDAUUJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N3O3S/c1-19-8-6-7-11-24(19)20-12-13-21(26-16-20)18-28(22-14-15-25(31-2)27-17-22)32(29,30)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3
PubChem CID44581687
ChEMBLCHEMBL457998
IUPHARN/A
BindingDB50413719
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
32723Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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