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Ligand

NameSCHEMBL343866
Molecular formulaC25H22ClN3O5S
IUPAC nameN-[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-[2-(1,3-oxazol-2-yl)propan-2-yl]benzenesulfonamide
Molecular weight511.977
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsCHEMBL3716777
Inchi KeyGWHVRWCMAXZEBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22ClN3O5S/c1-16-4-5-17(15-29(16)31)23(30)21-14-19(26)8-11-22(21)28-35(32,33)20-9-6-18(7-10-20)25(2,3)24-27-12-13-34-24/h4-15,28H,1-3H3
PubChem CID59788649
ChEMBLCHEMBL3716777
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
524641C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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