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Cathepsin G

Name And Classification

ID:  ALA4071

Type:  SINGLE PROTEIN

Synonyms:   3.4.21.20 | Cathepsin G | Cathepsin G, C-terminal truncated form | CTSG

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Protease / Serine protease / Serine protease PA clan / Serine protease S1A subfamily

Target Components

DescriptionRelationshipAccession
Cathepsin GPROTEINP08311

Associated Active Ligands

  1. Tetrahydrouridine
    ALA130656

    Name:
    3-({1-[2-(3-Methoxycarbonyl-propionylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl}-amino)-2-oxo-4-phenyl-butyric acid methyl ester

    Mol. Formula:
    C26H35N3O8

    M.W.:
    517.58

    Type:
    Small molecule

    AlogP:
    0.54

    Polar Surface Area:
    148.18

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. Tetrahydrouridine
    ALA130190

    Name:
    N-{1-[2-(1-Benzyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-succinamic acid methyl ester

    Mol. Formula:
    C25H32F3N3O6

    M.W.:
    527.54

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    121.88

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. Tetrahydrouridine
    ALA147013

    Name:
    {(S)-1-[(S)-2-(1-Benzyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester

    Mol. Formula:
    C25H34F3N3O5

    M.W.:
    513.56

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    104.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  4. Tetrahydrouridine
    ALA167998

    Name:
    (1-Methyl-2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid

    Mol. Formula:
    C23H19O4P

    M.W.:
    390.38

    Type:
    Small molecule

    AlogP:
    5.27

    Polar Surface Area:
    74.60

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. Tetrahydrouridine
    ALA167902

    Name:
    (2-Naphthalen-2-yl-2-oxo-1-phenyl-ethyl)-phosphonic acid

    Mol. Formula:
    C18H15O4P

    M.W.:
    326.29

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    74.60

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. Tetrahydrouridine
    ALA164077

    Name:
    (1,2-Di-naphthalen-2-yl-2-oxo-ethyl)-phosphonic acid

    Mol. Formula:
    C22H17O4P

    M.W.:
    376.35

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    74.60

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. Tetrahydrouridine
    ALA351469

    Name:
    (1,2-Di-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid

    Mol. Formula:
    C22H17O4P

    M.W.:
    376.35

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    74.60

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  8. Tetrahydrouridine
    ALA163736

    Name:
    [2-(3-{[(2,2-Diphenyl-ethylcarbamoyl)-methyl]-methyl-carbamoyl}-naphthalen-2-yl)-1-naphthalen-1-yl-2-oxo-ethyl]-phosphonic acid

    Mol. Formula:
    C40H35N2O6P

    M.W.:
    670.70

    Type:
    Small molecule

    AlogP:
    7.12

    Polar Surface Area:
    124.01

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  9. Tetrahydrouridine
    ALA164005

    Name:
    {2-[3-(Methyl-{[1-(naphthalene-2-carbonyl)-piperidin-4-ylcarbamoyl]-methyl}-carbamoyl)-naphthalen-2-yl]-1-naphthalen-1-yl-2-oxo-ethyl}-phosphonic acid

    Mol. Formula:
    C42H38N3O7P

    M.W.:
    727.75

    Type:
    Small molecule

    AlogP:
    6.74

    Polar Surface Area:
    144.32

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  10. Tetrahydrouridine
    ALA167990

    Name:
    (2-{3-[(3-Benzoylamino-propyl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid

    Mol. Formula:
    C34H31N2O6P

    M.W.:
    594.60

    Type:
    Small molecule

    AlogP:
    5.99

    Polar Surface Area:
    124.01

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS