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Papain

Name And Classification

ID:  ALA4779

Type:  SINGLE PROTEIN

Synonyms:   3.4.22.2 | Allergen=Car p 1 | Papain | Papaya proteinase I | PPI

Organism:  Carica papaya

Species Group:  Carica papaya

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

Target Components

DescriptionRelationshipAccession
PapainPROTEINP00784

Associated Recombinant Proteins

NameSpecification and purityExpression systemProtein labelActivityView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA266169

    Name:
    N-methyl-N-nitroso-N-phenylamine

    Mol. Formula:
    C7H8N2O

    M.W.:
    136.15

    Type:
    Small molecule

    AlogP:
    1.80

    Polar Surface Area:
    32.67

    HBA:
    2

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.46

    DETAILS
  2. Tetrahydrouridine
    ALA10577

    Name:
    2-Acetylamino-N-[3-(4-nitro-phenyl)-allyl]-3-phenyl-propionamide

    Mol. Formula:
    C20H21N3O4

    M.W.:
    367.41

    Type:
    Small molecule

    AlogP:
    2.47

    Polar Surface Area:
    101.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. Tetrahydrouridine
    ALA10354

    Name:
    4-(2-Acetylamino-3-phenyl-propionylamino)-but-2-enoic acid amide

    Mol. Formula:
    C15H19N3O3

    M.W.:
    289.33

    Type:
    Small molecule

    AlogP:
    -0.11

    Polar Surface Area:
    101.29

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  4. Tetrahydrouridine
    ALA10747

    Name:
    2-Acetylamino-N-(3-methanesulfonyl-allyl)-3-phenyl-propionamide

    Mol. Formula:
    C15H20N2O4S

    M.W.:
    324.40

    Type:
    Small molecule

    AlogP:
    0.41

    Polar Surface Area:
    92.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  5. Tetrahydrouridine
    ALA11046

    Name:
    4-(2-Acetylamino-3-phenyl-propionylamino)-but-2-enoic acid methyl ester

    Mol. Formula:
    C16H20N2O4

    M.W.:
    304.35

    Type:
    Small molecule

    AlogP:
    0.58

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. Tetrahydrouridine
    ALA11047

    Name:
    2-Acetylamino-N-(3-cyano-allyl)-3-phenyl-propionamide

    Mol. Formula:
    C15H17N3O2

    M.W.:
    271.32

    Type:
    Small molecule

    AlogP:
    0.93

    Polar Surface Area:
    81.99

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. Tetrahydrouridine
    ALA274617

    Name:
    4-(2-Acetylamino-3-phenyl-propionylamino)-but-2-enoic acid methyl ester

    Mol. Formula:
    C16H20N2O4

    M.W.:
    304.35

    Type:
    Small molecule

    AlogP:
    0.58

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  8. Tetrahydrouridine
    ALA10310

    Name:
    4-(2-Acetylamino-4-methylsulfanyl-butyrylamino)-but-2-enoic acid methyl ester

    Mol. Formula:
    C12H20N2O4S

    M.W.:
    288.37

    Type:
    Small molecule

    AlogP:
    0.09

    Polar Surface Area:
    84.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. Tetrahydrouridine
    ALA10696

    Name:
    4-(2-Acetylamino-3-phenyl-propionylamino)-but-2-enoic acid

    Mol. Formula:
    C15H18N2O4

    M.W.:
    290.32

    Type:
    Small molecule

    AlogP:
    0.49

    Polar Surface Area:
    95.50

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  10. Tetrahydrouridine
    ALA10887

    Name:
    4-Benzoylamino-but-2-enoic acid methyl ester

    Mol. Formula:
    C12H13NO3

    M.W.:
    219.24

    Type:
    Small molecule

    AlogP:
    1.15

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS