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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameSCHEMBL2004331
Molecular formulaC24H27FN4O2S
IUPAC name5-(4-fluorophenyl)-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-sulfonamide
Molecular weight454.564
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.1
SynonymsCHEMBL2364322
Inchi KeyCWYHDSYRMLUONB-SFHVURJKSA-N
Inchi IDInChI=1S/C24H27FN4O2S/c1-17-11-23(8-5-20(17)16-29-10-9-27-18(2)15-29)28-32(30,31)24-12-21(13-26-14-24)19-3-6-22(25)7-4-19/h3-8,11-14,18,27-28H,9-10,15-16H2,1-2H3/t18-/m0/s1
PubChem CID42623461
ChEMBLCHEMBL2364322
IUPHARN/A
BindingDBN/A
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
52581Motilin receptorO43193MLNRHomo sapiens (Human)412

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