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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

NameCHEMBL3797343
Molecular formulaC20H12F3N3O4S
IUPAC nameN-(1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
Molecular weight447.388
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL16871180
Inchi KeyCYTCBYNLWKLCAZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H12F3N3O4S/c21-20(22,23)12-4-1-6-14(10-12)31(29,30)25-16-8-2-7-15-17(16)19(28)26(18(15)27)13-5-3-9-24-11-13/h1-11,25H
PubChem CID118204583
ChEMBLCHEMBL3797343
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
523104C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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