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Kallikrein 7

Name And Classification

ID:  ALA2443

Type:  SINGLE PROTEIN

Synonyms:   3.4.21.117 | hK7 | hSCCE | Kallikrein-7 | KLK7 | PRSS6 | SCCE | Serine protease 6 | Stratum corneum chymotryptic enzyme

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
Kallikrein-7PROTEINP49862

Associated Active Ligands

  1. Tetrahydrouridine
    ALA2087343

    Name:
    N-(3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide

    Mol. Formula:
    C27H26N2O5S

    M.W.:
    490.58

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    85.89

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. Tetrahydrouridine
    ALA2087344

    Name:
    N-(1-(benzo[d][1,3]dioxol-5-yl)-3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxoprop-1-en-2-yl)benzamide

    Mol. Formula:
    C30H28N2O7

    M.W.:
    528.56

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    104.35

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  3. Tetrahydrouridine
    ALA2087345

    Name:
    N-(3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl)benzamide

    Mol. Formula:
    C28H27N3O5

    M.W.:
    485.54

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    98.78

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. Tetrahydrouridine
    ALA2087346

    Name:
    N-(3-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl)benzamide

    Mol. Formula:
    C27H26N2O6

    M.W.:
    474.51

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    99.03

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. Tetrahydrouridine
    ALA2087347

    Name:
    2-acetamido-N-((3R,3aR,6R,6aS)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-yl)-3-(thiophen-2-yl)acrylamide

    Mol. Formula:
    C22H24N2O5S

    M.W.:
    428.51

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    85.89

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. Tetrahydrouridine
    ALA3099870

    Name:
    2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)acrylamide

    Mol. Formula:
    C17H14N2O4

    M.W.:
    310.31

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    102.58

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. Tetrahydrouridine
    ALA3099874

    Name:
    2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)acrylamide

    Mol. Formula:
    C18H16N2O4

    M.W.:
    324.34

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    91.58

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  8. Tetrahydrouridine
    ALA3109056

    Name:
    N-(3-((3S,3aR,6R)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-ylamino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide

    Mol. Formula:
    C27H26N2O5S

    M.W.:
    490.58

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    85.89

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. Tetrahydrouridine
    ALA3109158

    Name:
    (2S)-2-((3R,6R,6aR)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-yl)1-tert-butyl pyrrolidine-1,2-dicarboxylate

    Mol. Formula:
    C23H31NO7

    M.W.:
    433.50

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    83.53

    HBA:
    7

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  10. Tetrahydrouridine
    ALA3109159

    Name:
    (R)-((3R,3aR,6R,6aR)-6-(benzyloxy)hexahydrofuro[3,2-b]furan-3-yl)2-(tert-butoxycarbonylamino)-3-methylbutanoate

    Mol. Formula:
    C23H33NO7

    M.W.:
    435.52

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    92.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS