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I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

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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

NameSCHEMBL343920
Molecular formulaC20H14ClF3N2O5S
IUPAC nameN-[4-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
Molecular weight486.846
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.5
SynonymsCHEMBL3717984
Inchi KeyDRWWRJONAICONH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14ClF3N2O5S/c1-12-16(3-2-10-26(12)28)19(27)17-11-13(21)4-9-18(17)25-32(29,30)15-7-5-14(6-8-15)31-20(22,23)24/h2-11,25H,1H3
PubChem CID10096942
ChEMBLCHEMBL3717984
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
523517C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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