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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

NameCHEMBL3718571
Molecular formulaC23H22ClN3O4S
IUPAC name3-[4-[[4-chloro-2-(pyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]-N,N-dimethylpropanamide
Molecular weight471.956
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsSCHEMBL10249490
Inchi KeyFLJKBQYYUQAHNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22ClN3O4S/c1-27(2)22(28)10-5-16-3-7-19(8-4-16)32(30,31)26-21-9-6-18(24)15-20(21)23(29)17-11-13-25-14-12-17/h3-4,6-9,11-15,26H,5,10H2,1-2H3
PubChem CID20827656
ChEMBLCHEMBL3718571
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
523907C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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