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cGMP-dependent protein kinase 1 beta

Name And Classification

ID:  ALA4273

Type:  SINGLE PROTEIN

Synonyms:   2.7.11.12 | cGK 1 | cGK1 | cGKI | cGMP-dependent protein kinase 1 | cGMP-dependent protein kinase I | PRKG1 | PRKG1B | PRKGR1A | PRKGR1B

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Kinase / Protein Kinase / AGC protein kinase group / AGC protein kinase PKG family

Target Components

DescriptionRelationshipAccession
cGMP-dependent protein kinase 1PROTEINQ13976

Associated Active Ligands

  1. Tetrahydrouridine
    ALA4845907

    Name:
    (2S,3S)-1-((1H-Imidazol-2-yl)methyl)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpiperidine

    Mol. Formula:
    C22H23Cl2N3O

    M.W.:
    416.35

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    41.15

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. Tetrahydrouridine
    ALA4846392

    Name:
    2-(((2S,3S)-1-(4-(2H-tetrazol-5-yl)benzyl)-2-phenylpiperidin-3-yl)oxy)-2-(3,5-dichlorophenyl)ethan-1-ol

    Mol. Formula:
    C27H27Cl2N5O2

    M.W.:
    524.45

    Type:
    Unknown

    AlogP:
    5.63

    Polar Surface Area:
    87.16

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. Tetrahydrouridine
    ALA4847402

    Name:
    5-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpiperidin-1-yl)methyl)picolinic acid

    Mol. Formula:
    C25H24Cl2N2O3

    M.W.:
    471.38

    Type:
    Unknown

    AlogP:
    6.01

    Polar Surface Area:
    62.66

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. Tetrahydrouridine
    ALA4850215

    Name:
    5-(((2S,3S)-3-(1-(3,5-dichlorophenyl)-2-hydroxyethoxy)-2-phenylpiperidin-1-yl)methyl)nicotinic acid

    Mol. Formula:
    C26H26Cl2N2O4

    M.W.:
    501.41

    Type:
    Unknown

    AlogP:
    5.54

    Polar Surface Area:
    82.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. Tetrahydrouridine
    ALA4850596

    Name:
    (S)-2-(3,5-dichlorophenyl)-2-(((2S,3S)-1-methyl-2-phenylpiperidin-3-yl)oxy)ethan-1-ol

    Mol. Formula:
    C20H23Cl2NO2

    M.W.:
    380.32

    Type:
    Unknown

    AlogP:
    4.88

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  6. Tetrahydrouridine
    ALA4851269

    Name:
    (2S,3S)-3-((3,5-dichlorobenzyl)oxy)-1-((1-methyl-1H-pyrazol-4-yl)methyl)-2-phenylpiperidine

    Mol. Formula:
    C23H25Cl2N3O

    M.W.:
    430.38

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    30.29

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  7. Tetrahydrouridine
    ALA4852098

    Name:
    2-(((2S,3S)-3-((3,5-dichlorobenzyl)oxy)-2-phenylpiperidin-1-yl)methyl)pyridine

    Mol. Formula:
    C24H24Cl2N2O

    M.W.:
    427.38

    Type:
    Unknown

    AlogP:
    6.31

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. Tetrahydrouridine
    ALA4853980

    Name:
    (2S,3S)-3-((3,5-dichlorobenzyl)oxy)-1-methyl-2-phenylpiperidine

    Mol. Formula:
    C19H21Cl2NO

    M.W.:
    350.29

    Type:
    Unknown

    AlogP:
    5.35

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. Tetrahydrouridine
    ALA4855211

    Name:
    (2S,3S)-3-((3,5-dichlorobenzyl)oxy)-1-((1-methyl-1H-imidazol-2-yl)methyl)-2-phenylpiperidine

    Mol. Formula:
    C23H25Cl2N3O

    M.W.:
    430.38

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    30.29

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  10. Tetrahydrouridine
    ALA4856290

    Name:
    2-(((2S,3S)-1-((1H-imidazol-2-yl)methyl)-2-phenylpiperidin-3-yl)oxy)-2-(3,5-dichlorophenyl)ethanol

    Mol. Formula:
    C23H25Cl2N3O2

    M.W.:
    446.38

    Type:
    Unknown

    AlogP:
    5.17

    Polar Surface Area:
    61.38

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS