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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

NameCHEMBL222112
Molecular formulaC24H27N5O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]pyrazine-2-carboxamide
Molecular weight481.571
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM50203854
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-pyrazine-2-carboxamide
Inchi KeyKDESTDXLUHNRIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N5O4S/c1-2-5-23(30)29-14-10-17(11-15-29)28-34(32,33)22-9-8-20(18-6-3-4-7-19(18)22)27-24(31)21-16-25-12-13-26-21/h3-4,6-9,12-13,16-17,28H,2,5,10-11,14-15H2,1H3,(H,27,31)
PubChem CID16105780
ChEMBLCHEMBL222112
IUPHARN/A
BindingDB50203854
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
166309C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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