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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

NameCHEMBL218555
Molecular formulaC25H28N4O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]pyridine-3-carboxamide
Molecular weight480.583
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50203861
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-nicotinamide
Inchi KeyGZQRNMNMUFHNJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O4S/c1-2-6-24(30)29-15-12-19(13-16-29)28-34(32,33)23-11-10-22(20-8-3-4-9-21(20)23)27-25(31)18-7-5-14-26-17-18/h3-5,7-11,14,17,19,28H,2,6,12-13,15-16H2,1H3,(H,27,31)
PubChem CID16105866
ChEMBLCHEMBL218555
IUPHARN/A
BindingDB50203861
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
109351C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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