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Cruzipain

Name And Classification

ID:  ALA3563

Type:  SINGLE PROTEIN

Synonyms:   3.4.22.51 | Cruzaine | Cruzipain | Major cysteine proteinase

Organism:  Trypanosoma cruzi

Species Group:  Trypanosoma cruzi

Protein Target Classification:   Enzyme / Protease / Cysteine protease / Cysteine protease CA clan / Cysteine protease C1A family

Target Components

DescriptionRelationshipAccession
CruzipainPROTEINP25779

Associated Active Ligands

  1. Tetrahydrouridine
    ALA19097

    Name:
    SID26755264

    Mol. Formula:
    C30H48O6

    M.W.:
    504.71

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. Tetrahydrouridine
    ALA40503

    Name:
    Quinoline-3-carboxylic acid [1-(4-bromo-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C15H10BrN3OS

    M.W.:
    360.24

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    54.35

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. Tetrahydrouridine
    ALA289764

    Name:
    2-Hydroxy-benzoic acid [1-quinolin-4-yl-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C17H13N3O2

    M.W.:
    291.31

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    74.58

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. Tetrahydrouridine
    ALA39814

    Name:
    Benzoic acid [1-(4-dimethylamino-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C20H19N3O

    M.W.:
    317.39

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    44.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. Tetrahydrouridine
    ALA39723

    Name:
    3,4-Dihydroxy-benzoic acid [1-(4-dimethylamino-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C20H19N3O3

    M.W.:
    349.39

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    85.16

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  6. Tetrahydrouridine
    ALA289374

    Name:
    Quinoline-4-carboxylic acid [1-(4-dimethylamino-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C23H20N4O

    M.W.:
    368.44

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    57.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. Tetrahydrouridine
    ALA285167

    Name:
    2,4-Dimethoxy-benzoic acid [1-furan-3-yl-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C14H14N2O4

    M.W.:
    274.28

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. Tetrahydrouridine
    ALA37464

    Name:
    5-[(3-Nitro-benzoyl)-hydrazonomethyl]-furan-2-carboxylic acid

    Mol. Formula:
    C13H9N3O6

    M.W.:
    303.23

    Type:
    Small molecule

    AlogP:
    1.65

    Polar Surface Area:
    135.04

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. Tetrahydrouridine
    ALA38462

    Name:
    2-Hydroxy-benzoic acid [1-[5-(4-chloro-phenyl)-furan-2-yl]-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C18H13ClN2O3

    M.W.:
    340.77

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    74.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  10. Tetrahydrouridine
    ALA39161

    Name:
    3-Hydroxy-naphthalene-2-carboxylic acid [1-[5-(2-chloro-phenyl)-furan-2-yl]-meth-(E)-ylidene]-hydrazide

    Mol. Formula:
    C22H15ClN2O3

    M.W.:
    390.83

    Type:
    Small molecule

    AlogP:
    5.22

    Polar Surface Area:
    74.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS