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Ligand

NameSCHEMBL344456
Molecular formulaC23H23ClN2O4S
IUPAC name4-tert-butyl-N-[4-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide
Molecular weight458.957
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsCHEMBL3718414
Inchi KeyFAUONTNUWIUZHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN2O4S/c1-15-19(6-5-13-26(15)28)22(27)20-14-17(24)9-12-21(20)25-31(29,30)18-10-7-16(8-11-18)23(2,3)4/h5-14,25H,1-4H3
PubChem CID22327300
ChEMBLCHEMBL3718414
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
523711C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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