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11-beta-hydroxysteroid dehydrogenase 1

Name And Classification

ID:  ALA2391

Type:  SINGLE PROTEIN

Synonyms:   1.1.1.146 | 1.1.1.201 | 11-beta-HSD1 | 11-beta-hydroxysteroid dehydrogenase 1 | 11-DH | 7-oxosteroid reductase | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Hsd11 | Hsd11b1

Organism:  Rattus norvegicus

Species Group:  Rattus norvegicus

Protein Target Classification:   Enzyme / Oxidoreductase

Target Components

DescriptionRelationshipAccession
11-beta-hydroxysteroid dehydrogenase 1PROTEINP16232

Associated Active Ligands

  1. Tetrahydrouridine
    ALA109757

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid

    Mol. Formula:
    C30H46O4

    M.W.:
    470.69

    Type:
    Small molecule

    AlogP:
    6.41

    Polar Surface Area:
    74.60

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. Tetrahydrouridine
    ALA430525

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (2-oxo-tetrahydro-furan-3-yl)-amide

    Mol. Formula:
    C34H51NO5

    M.W.:
    553.78

    Type:
    Small molecule

    AlogP:
    5.76

    Polar Surface Area:
    92.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. Tetrahydrouridine
    ALA110049

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide

    Mol. Formula:
    C36H58N2O4

    M.W.:
    582.87

    Type:
    Small molecule

    AlogP:
    5.78

    Polar Surface Area:
    78.87

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. Tetrahydrouridine
    ALA110067

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid morpholin-4-ylamide

    Mol. Formula:
    C34H54N2O4

    M.W.:
    554.82

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    78.87

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. Tetrahydrouridine
    ALA320044

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid cyclopropylamide

    Mol. Formula:
    C33H51NO3

    M.W.:
    509.78

    Type:
    Small molecule

    AlogP:
    6.61

    Polar Surface Area:
    66.40

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. Tetrahydrouridine
    ALA110042

    Name:
    2-[((2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carbonyl)-amino]-propionic acid (S)-ethyl ester

    Mol. Formula:
    C35H55NO5

    M.W.:
    569.83

    Type:
    Small molecule

    AlogP:
    6.40

    Polar Surface Area:
    92.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. Tetrahydrouridine
    ALA322753

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (5-hydroxy-pentyl)-amide

    Mol. Formula:
    C35H57NO4

    M.W.:
    555.84

    Type:
    Small molecule

    AlogP:
    6.61

    Polar Surface Area:
    86.63

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  8. Tetrahydrouridine
    ALA113962

    Name:
    (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid (2-hydroxy-ethyl)-amide

    Mol. Formula:
    C32H51NO4

    M.W.:
    513.76

    Type:
    Small molecule

    AlogP:
    5.44

    Polar Surface Area:
    86.63

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. Tetrahydrouridine
    ALA2177609

    Name:
    4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-benzoic Acid

    Mol. Formula:
    C25H31N3O3

    M.W.:
    421.54

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    84.22

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. Tetrahydrouridine
    ALA2402167

    Name:
    1,5-bis(3-methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl)penta-1,4-dien-3-one

    Mol. Formula:
    C29H34O7

    M.W.:
    494.58

    Type:
    Small molecule

    AlogP:
    5.81

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS