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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

NameCHEMBL3799726
Molecular formulaC24H22ClN3O4S
IUPAC name4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindol-4-yl]benzenesulfonamide
Molecular weight483.967
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL16871299
Inchi KeyDHLYQHPYVBLUGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22ClN3O4S/c1-24(2,3)15-7-9-17(10-8-15)33(31,32)27-19-12-11-18(25)20-21(19)23(30)28(22(20)29)14-16-6-4-5-13-26-16/h4-13,27H,14H2,1-3H3
PubChem CID118204692
ChEMBLCHEMBL3799726
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
523298C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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