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Klebsiella pneumoniae

Name And Classification

ID:  ALA350

Type:  ORGANISM

Organism:  Klebsiella pneumoniae

Species Group:  Klebsiella pneumoniae

Associated Antibodies

NameSpecificationsSpecies reactivityspeciesApplicationView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA8

    Name:
    1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid

    Mol. Formula:
    C17H18FN3O3

    M.W.:
    331.35

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    74.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  2. Tetrahydrouridine
    ALA19971

    Name:
    3-Oxo-3H-benzo[c]isoxazole-1-carboxylic acid methylamide

    Mol. Formula:
    C9H8N2O3

    M.W.:
    192.17

    Type:
    Small molecule

    AlogP:
    0.78

    Polar Surface Area:
    64.24

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    0

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  3. Tetrahydrouridine
    ALA160196

    Name:
    CO-ADD:0136701

    Mol. Formula:
    C17H20N2O5

    M.W.:
    332.36

    Type:
    Small molecule

    AlogP:
    0.01

    Polar Surface Area:
    93.69

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  4. Tetrahydrouridine
    ALA184862

    Name:
    N-(2-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy}-phenyl)-acetamide

    Mol. Formula:
    C20H20FN3O5

    M.W.:
    401.39

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    96.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  5. Tetrahydrouridine
    ALA191131

    Name:
    4,9-Dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid allylamide

    Mol. Formula:
    C15H11N3O3

    M.W.:
    281.27

    Type:
    Small molecule

    AlogP:
    1.10

    Polar Surface Area:
    91.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  6. Tetrahydrouridine
    ALA195226

    Name:
    4-Amino-N-[5-amino-4-(3-amino-6-aminomethyl-tetrahydro-pyran-2-yloxy)-2-(4-amino-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide

    Mol. Formula:
    C22H44N6O9

    M.W.:
    536.63

    Type:
    Small molecule

    AlogP:
    -6.13

    Polar Surface Area:
    288.04

    HBA:
    14

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  7. Tetrahydrouridine
    ALA427039

    Name:
    7-(4-(2-(4-chlorophenyl)-2-(methoxyimino)ethyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

    Mol. Formula:
    C26H26ClFN4O4

    M.W.:
    512.97

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    87.37

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  8. Tetrahydrouridine
    ALA243123

    Name:
    2-bromo-5-methoxy-benzoic acid N'-[4-(2-chloro-pyridin-4-yl)-2H-1lambda*4*-thiazol-2-yl]-hydrazide

    Mol. Formula:
    C16H12BrClN4O2S

    M.W.:
    439.72

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    76.14

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  9. Tetrahydrouridine
    ALA243821

    Name:
    4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide

    Mol. Formula:
    C17H18N2O4

    M.W.:
    314.34

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    92.47

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  10. Tetrahydrouridine
    ALA245094

    Name:
    N-(2-hydroxy-4-nitrophenyl)benzamide

    Mol. Formula:
    C13H10N2O4

    M.W.:
    258.23

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    92.47

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS