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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL221842
Molecular formulaC24H29N5O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylimidazole-2-carboxamide
Molecular weight483.587
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50203891
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-1-methyl-1H-imidazole-2-carboxamide
Inchi KeyLMPSLVRKFHZXLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O4S/c1-3-6-22(30)29-14-11-17(12-15-29)27-34(32,33)21-10-9-20(18-7-4-5-8-19(18)21)26-24(31)23-25-13-16-28(23)2/h4-5,7-10,13,16-17,27H,3,6,11-12,14-15H2,1-2H3,(H,26,31)
PubChem CID16105864
ChEMBLCHEMBL221842
IUPHARN/A
BindingDB50203891
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
191175C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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