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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

NameCHEMBL3718491
Molecular formulaC25H25ClN2O4S
IUPAC name3-[4-[[4-chloro-2-(4-methylbenzoyl)phenyl]sulfamoyl]phenyl]-N,N-dimethylpropanamide
Molecular weight484.995
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL13693273
Inchi KeyDYFXWLLGWLRQCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25ClN2O4S/c1-17-4-9-19(10-5-17)25(30)22-16-20(26)11-14-23(22)27-33(31,32)21-12-6-18(7-13-21)8-15-24(29)28(2)3/h4-7,9-14,16,27H,8,15H2,1-3H3
PubChem CID57834432
ChEMBLCHEMBL3718491
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
523646C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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