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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

NameCHEMBL3604477
Molecular formulaC21H22ClN3O2S
IUPAC nameN-[2-(3-aminopyridin-2-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
Molecular weight415.936
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50113448
Inchi KeyAXNJHSMDLJEOOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3O2S/c1-21(2,3)14-6-9-16(10-7-14)28(26,27)25-19-11-8-15(22)13-17(19)20-18(23)5-4-12-24-20/h4-13,25H,23H2,1-3H3
PubChem CID122185741
ChEMBLCHEMBL3604477
IUPHARN/A
BindingDB50113448
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
464967C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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