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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

NameCHEMBL376910
Molecular formulaC26H30N4O4S
IUPAC nameN,N-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
Molecular weight494.61
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
Synonyms4-({[4-(benzoylamino)-1-naphthyl]sulfonyl}amino)-N,N-dimethylpiperidine-1-carboxamide
BDBM50203871
SCHEMBL1339375
Inchi KeyFUHOZCXIEPHKEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4O4S/c1-18-8-4-5-9-20(18)25(31)27-23-12-13-24(22-11-7-6-10-21(22)23)35(33,34)28-19-14-16-30(17-15-19)26(32)29(2)3/h4-13,19,28H,14-17H2,1-3H3,(H,27,31)
PubChem CID16105822
ChEMBLCHEMBL376910
IUPHARN/A
BindingDB50203871
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
87444C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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