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Phosphoglycerate kinase, glycosomal

Name And Classification

ID:  ALA1741167

Type:  SINGLE PROTEIN

Synonyms:   2.7.2.3 | Phosphoglycerate kinase C | Phosphoglycerate kinase, glycosomal

Organism:  Trypanosoma brucei brucei

Species Group:  Trypanosoma brucei brucei

Protein Target Classification:   Enzyme / Transferase

Target Components

DescriptionRelationshipAccession
Phosphoglycerate kinase, glycosomalPROTEINP07378

Associated Active Ligands

  1. Tetrahydrouridine
    ALA1971443

    Name:
    SID99361109

    Mol. Formula:
    C15H10N2O3

    M.W.:
    266.26

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    45.51

    HBA:
    5

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    0

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. Tetrahydrouridine
    ALA1971582

    Name:
    SID99454257

    Mol. Formula:
    C24H24N2O5S

    M.W.:
    452.53

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    94.59

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. Tetrahydrouridine
    ALA1974650

    Name:
    SID85200831

    Mol. Formula:
    C31H46N2O7

    M.W.:
    558.72

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    131.03

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. Tetrahydrouridine
    ALA1976457

    Name:
    SID26670894

    Mol. Formula:
    C20H24N4O2S

    M.W.:
    384.51

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    64.68

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. Tetrahydrouridine
    ALA1977120

    Name:
    SID103073845

    Mol. Formula:
    C27H26ClN3O5S

    M.W.:
    540.04

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    96.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. Tetrahydrouridine
    ALA1978708

    Name:
    SID17415901

    Mol. Formula:
    C19H18F3NO2

    M.W.:
    349.35

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    46.17

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. Tetrahydrouridine
    ALA1986200

    Name:
    SID24413284

    Mol. Formula:
    C20H27N3O5S

    M.W.:
    421.52

    Type:
    Small molecule

    AlogP:
    2.35

    Polar Surface Area:
    106.50

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. Tetrahydrouridine
    ALA1999427

    Name:
    SID99456154

    Mol. Formula:
    C20H18F3N3O5S

    M.W.:
    469.44

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    107.24

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  9. Tetrahydrouridine
    ALA1999655

    Name:
    SID103076186

    Mol. Formula:
    C22H23N3O7S

    M.W.:
    473.51

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    135.03

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  10. Tetrahydrouridine
    ALA2000203

    Name:
    SID24405564

    Mol. Formula:
    C25H30N4O4S

    M.W.:
    482.61

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    102.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS