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Myeloperoxidase

Name And Classification

ID:  ALA2439

Type:  SINGLE PROTEIN

Synonyms:   1.11.2.2 | 84 kDa myeloperoxidase | 89 kDa myeloperoxidase | MPO | MPO | Myeloperoxidase | Myeloperoxidase heavy chain | Myeloperoxidase light chain

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Oxidoreductase

Target Components

DescriptionRelationshipAccession
MyeloperoxidasePROTEINP05164

Associated Active Ligands

  1. Tetrahydrouridine
    ALA270922

    Name:
    4-[(4-amino-1-oxobutyl)amino]-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C18H18F3N3O3

    M.W.:
    381.35

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    104.45

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. Tetrahydrouridine
    ALA411739

    Name:
    4-[(4-hydroxy-1-oxobutyl)amino]-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C18H17F3N2O4

    M.W.:
    382.34

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    98.66

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  3. Tetrahydrouridine
    ALA270911

    Name:
    (2E)-4-[(3-carboxy-1-oxopropenyl)amino]-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C18H13F3N2O5

    M.W.:
    394.31

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    115.73

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. Tetrahydrouridine
    ALA271126

    Name:
    4-benzamido-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C21H15F3N2O3

    M.W.:
    400.36

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  5. Tetrahydrouridine
    ALA429437

    Name:
    4-acetamido-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C16H13F3N2O3

    M.W.:
    338.29

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. Tetrahydrouridine
    ALA272216

    Name:
    4-amino-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C14H11F3N2O2

    M.W.:
    296.25

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    75.35

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  7. Tetrahydrouridine
    ALA259241

    Name:
    4-nitro-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C14H9F3N2O4

    M.W.:
    326.23

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    92.47

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  8. Tetrahydrouridine
    ALA259242

    Name:
    5-bromo-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C14H9BrF3NO2

    M.W.:
    360.13

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  9. Tetrahydrouridine
    ALA406029

    Name:
    5-chloro-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C14H9ClF3NO2

    M.W.:
    315.68

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  10. Tetrahydrouridine
    ALA271973

    Name:
    5-fluoro-2-[(3-trifluoromethylphenyl)amino]benzoic acid

    Mol. Formula:
    C14H9F4NO2

    M.W.:
    299.22

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS