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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

NameCHEMBL3717218
Molecular formulaC21H15ClN4O4S
IUPAC nameN-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
Molecular weight454.885
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL10249528
Inchi KeyHKUJRYUUZIBDTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15ClN4O4S/c1-13-24-25-21(30-13)14-5-8-16(9-6-14)31(28,29)26-18-10-7-15(22)12-17(18)20(27)19-4-2-3-11-23-19/h2-12,26H,1H3
PubChem CID59788768
ChEMBLCHEMBL3717218
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
524921C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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