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Epoxide hydrolase 1

Name And Classification

ID:  ALA1968

Type:  SINGLE PROTEIN

Synonyms:   3.3.2.9 | EPHX | EPHX1 | EPOX | Epoxide hydratase | Epoxide hydrolase 1 | mEH | Microsomal epoxide hydrolase

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Protease / Serine protease / Serine protease SC clan / Serine protease S33 family

Target Relations

ALA IDRelationshipPref NameTarget Type
ALA4523609SUBSET OFEpoxide hydrolase 1/Bifunctional epoxide hydrolase 2PROTEIN FAMILY

Target Components

DescriptionRelationshipAccession
Epoxide hydrolase 1PROTEINP07099

Associated Active Ligands

  1. Tetrahydrouridine
    ALA297630

    Name:
    7-Oxa-bicyclo[4.1.0]hepta-2,4-diene

    Mol. Formula:
    C6H6O

    M.W.:
    94.11

    Type:
    Small molecule

    AlogP:
    0.88

    Polar Surface Area:
    12.53

    HBA:
    1

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    0

    Passes Ro3:
    Y

    QED Weighted:
    0.41

    DETAILS
  2. Tetrahydrouridine
    ALA1231797

    Name:
    US8815951, 53

    Mol. Formula:
    C13H17IN2O

    M.W.:
    344.20

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    41.13

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  3. Tetrahydrouridine
    ALA2236325

    Name:
    N-(2-methoxy-4-nitrophenylcarbamothioyl)benzamide

    Mol. Formula:
    C15H13N3O4S

    M.W.:
    331.35

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    93.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  4. Tetrahydrouridine
    ALA2236326

    Name:
    N-(2-methoxy-4-methylphenylcarbamothioyl)benzamide

    Mol. Formula:
    C16H16N2O2S

    M.W.:
    300.38

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  5. Tetrahydrouridine
    ALA2236327

    Name:
    N-(4-phenoxyphenylcarbamothioyl)benzamide

    Mol. Formula:
    C20H16N2O2S

    M.W.:
    348.43

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. Tetrahydrouridine
    ALA2236328

    Name:
    N-(tert-butylcarbamothioyl)benzamide

    Mol. Formula:
    C12H16N2OS

    M.W.:
    236.34

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.73

    DETAILS
  7. Tetrahydrouridine
    ALA2236329

    Name:
    N-(pyridin-4-ylcarbamothioyl)benzamide

    Mol. Formula:
    C13H11N3OS

    M.W.:
    257.32

    Type:
    Small molecule

    AlogP:
    2.21

    Polar Surface Area:
    54.02

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
  8. Tetrahydrouridine
    ALA2236330

    Name:
    N-(4-bromonaphthalen-1-ylcarbamothioyl)benzamide

    Mol. Formula:
    C18H13BrN2OS

    M.W.:
    385.29

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. Tetrahydrouridine
    ALA2236331

    Name:
    N-Benzoyl-N'-adamantyl thiourea

    Mol. Formula:
    C18H22N2OS

    M.W.:
    314.45

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. Tetrahydrouridine
    ALA2236332

    Name:
    N-(phenylcarbamothioyl)acetamide

    Mol. Formula:
    C9H10N2OS

    M.W.:
    194.26

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.67

    DETAILS