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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

NameCHEMBL3797572
Molecular formulaC23H20ClN3O4S
IUPAC name4-tert-butyl-N-(7-chloro-1,3-dioxo-2-pyridin-4-ylisoindol-4-yl)benzenesulfonamide
Molecular weight469.94
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL16871501
Inchi KeyIVKPTGYGUITHDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20ClN3O4S/c1-23(2,3)14-4-6-16(7-5-14)32(30,31)26-18-9-8-17(24)19-20(18)22(29)27(21(19)28)15-10-12-25-13-11-15/h4-13,26H,1-3H3
PubChem CID118204881
ChEMBLCHEMBL3797572
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
525646C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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