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Sialidase A

Name And Classification

ID:  ALA4105839

Type:  SINGLE PROTEIN

Synonyms:   3.2.1.18 | nanA | Neuraminidase A | Sialidase A

Organism:  Streptococcus pneumoniae

Species Group:  Streptococcus pneumoniae

Protein Target Classification:   Enzyme / Hydrolase

Target Components

DescriptionRelationshipAccession
Sialidase APROTEINP62575

Associated Active Ligands

  1. Tetrahydrouridine
    ALA4072450

    Name:
    3,5-Dihydroxyestragole

    Mol. Formula:
    C10H12O3

    M.W.:
    180.20

    Type:
    Small molecule

    AlogP:
    1.83

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.70

    DETAILS
  2. Tetrahydrouridine
    ALA4079519

    Name:
    Myrislignanometin E

    Mol. Formula:
    C21H26O7

    M.W.:
    390.43

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    97.61

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. Tetrahydrouridine
    ALA4085435

    Name:
    Myrislignan

    Mol. Formula:
    C21H26O6

    M.W.:
    374.43

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    77.38

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  4. Tetrahydrouridine
    ALA4091275

    Name:
    5'-Methoxylicarin B

    Mol. Formula:
    C21H22O5

    M.W.:
    354.40

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    46.15

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  5. Tetrahydrouridine
    ALA4097551

    Name:
    Maceneolignan H

    Mol. Formula:
    C24H30O7

    M.W.:
    430.50

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS