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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

NameCHEMBL218036
Molecular formulaC25H27N3O5S
IUPAC nameN-[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight481.567
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50203878
N-{4-[1-(2-hydroxy-acetyl)-piperidin-4-ylsulfamoyl]-naphthalen-1-yl}-2-methyl-benzamide
SCHEMBL1337259
Inchi KeyDOACUNOCKVLWFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O5S/c1-17-6-2-3-7-19(17)25(31)26-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)27-18-12-14-28(15-13-18)24(30)16-29/h2-11,18,27,29H,12-16H2,1H3,(H,26,31)
PubChem CID16105877
ChEMBLCHEMBL218036
IUPHARN/A
BindingDB50203878
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
64828C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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