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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameSCHEMBL343149
Molecular formulaC22H21ClN2O5S
IUPAC nameN-[4-chloro-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
Molecular weight460.929
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL3717793
Inchi KeyDWCDKSMXGFXHSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21ClN2O5S/c1-14(2)30-18-5-7-19(8-6-18)31(28,29)24-21-9-4-17(23)13-20(21)22(26)16-10-11-25(27)15(3)12-16/h4-14,24H,1-3H3
PubChem CID10322032
ChEMBLCHEMBL3717793
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
523598C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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