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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

NameSCHEMBL343905
Molecular formulaC23H21ClN2O5S
IUPAC namemethyl 3-[4-[[4-chloro-2-(2-methylpyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight472.94
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
Synonyms3-{4-[4-Chloro-2-(2-methyl-pyridine-4-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
GCWRCNRBFFLLGC-UHFFFAOYSA-N
CHEMBL3718031
Inchi KeyGCWRCNRBFFLLGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClN2O5S/c1-15-13-17(11-12-25-15)23(28)20-14-18(24)6-9-21(20)26-32(29,30)19-7-3-16(4-8-19)5-10-22(27)31-2/h3-4,6-9,11-14,26H,5,10H2,1-2H3
PubChem CID10322608
ChEMBLCHEMBL3718031
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
524202C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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