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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

NameSCHEMBL14150936
Molecular formulaC18H19FN4O4
IUPAC name4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-2,4-dicarboxamide
Molecular weight374.372
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.3
SynonymsBDBM158326
US9029370, 120
Inchi KeyCVAOODJQYWCPPA-OAHLLOKOSA-N
Inchi IDInChI=1S/C18H19FN4O4/c1-26-16-8-11(7-14(22-16)17(20)24)18(25)23-13-3-2-10(6-12(13)19)15-9-21-4-5-27-15/h2-3,6-8,15,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25)/t15-/m1/s1
PubChem CID71086950
ChEMBLN/A
IUPHARN/A
BindingDB158326
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558858Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
558859Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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