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Sialidase 1

Name And Classification

ID:  ALA2726

Type:  SINGLE PROTEIN

Synonyms:   3.2.1.18 | Acetylneuraminyl hydrolase | G9 sialidase | Lysosomal sialidase | N-acetyl-alpha-neuraminidase 1 | NANH | NEU1 | Sialidase-1

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Hydrolase

Target Components

DescriptionRelationshipAccession
Sialidase-1PROTEINQ99519

Associated Active Ligands

  1. Tetrahydrouridine
    ALA402360

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-acetamido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C13H20N2O8

    M.W.:
    332.31

    Type:
    Small molecule

    AlogP:
    -2.92

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. Tetrahydrouridine
    ALA253682

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-benzamido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C18H22N2O8

    M.W.:
    394.38

    Type:
    Small molecule

    AlogP:
    -1.63

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  3. Tetrahydrouridine
    ALA253683

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-(cyclopentanecarboxamido)-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C17H26N2O8

    M.W.:
    386.40

    Type:
    Small molecule

    AlogP:
    -1.75

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. Tetrahydrouridine
    ALA253684

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-(cyclopropanecarboxamido)-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C15H22N2O8

    M.W.:
    358.35

    Type:
    Small molecule

    AlogP:
    -2.53

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. Tetrahydrouridine
    ALA252061

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-3-butyramido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C15H24N2O8

    M.W.:
    360.36

    Type:
    Small molecule

    AlogP:
    -2.14

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  6. Tetrahydrouridine
    ALA252062

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-(3-methylbutanamido)propyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C16H26N2O8

    M.W.:
    374.39

    Type:
    Small molecule

    AlogP:
    -1.90

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  7. Tetrahydrouridine
    ALA252063

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-isobutyramidopropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C15H24N2O8

    M.W.:
    360.36

    Type:
    Small molecule

    AlogP:
    -2.29

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  8. Tetrahydrouridine
    ALA252264

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-pentanamidopropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C16H26N2O8

    M.W.:
    374.39

    Type:
    Small molecule

    AlogP:
    -1.75

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  9. Tetrahydrouridine
    ALA252265

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-pivalamidopropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C16H26N2O8

    M.W.:
    374.39

    Type:
    Small molecule

    AlogP:
    -1.90

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. Tetrahydrouridine
    ALA403931

    Name:
    (4S,5R,6R)-5-acetamido-6-((1S,2S)-1,2-dihydroxy-3-(3-methylpentanamido)propyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid

    Mol. Formula:
    C17H28N2O8

    M.W.:
    388.42

    Type:
    Small molecule

    AlogP:
    -1.51

    Polar Surface Area:
    165.42

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS