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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

NameCHEMBL3604482
Molecular formulaC22H22ClN3O4S
IUPAC name2-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-3-hydroxypyridine-4-carboxamide
Molecular weight459.945
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.4
SynonymsBDBM50113444
Inchi KeyGQYUIHOCVNCIDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22ClN3O4S/c1-22(2,3)13-4-7-15(8-5-13)31(29,30)26-18-9-6-14(23)12-17(18)19-20(27)16(21(24)28)10-11-25-19/h4-12,26-27H,1-3H3,(H2,24,28)
PubChem CID122185746
ChEMBLCHEMBL3604482
IUPHARN/A
BindingDB50113444
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
475648C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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