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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

NameSCHEMBL2767377
Molecular formulaC25H26F2N4O
IUPAC nameN-[2-fluoro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
Molecular weight436.507
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsCHEMBL2364296
Inchi KeyBONCPJJHOMEUCG-KRWDZBQOSA-N
Inchi IDInChI=1S/C25H26F2N4O/c1-17-15-31(11-10-28-17)16-18-6-9-24(22(27)12-18)30(2)25(32)20-7-8-23(29-14-20)19-4-3-5-21(26)13-19/h3-9,12-14,17,28H,10-11,15-16H2,1-2H3/t17-/m0/s1
PubChem CID23728692
ChEMBLCHEMBL2364296
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
28944Motilin receptorO43193MLNRHomo sapiens (Human)412

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