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Carboxylesterase 2

Name And Classification

ID:  ALA3180

Type:  SINGLE PROTEIN

Synonyms:   3.1.1.1 | 3.1.1.56 | 3.1.1.84 | Carboxylesterase 2 | CE-2 | CES2 | Cocaine esterase | hCE-2 | ICE | Methylumbelliferyl-acetate deacetylase 2

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Hydrolase

Target Components

DescriptionRelationshipAccession
Cocaine esterasePROTEINO00748

Associated Antibodies

NameSpecificationsSpecies reactivityspeciesApplicationView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA373345

    Name:
    1,2-Di-pyridin-2-yl-ethane-1,2-dione

    Mol. Formula:
    C12H8N2O2

    M.W.:
    212.21

    Type:
    Small molecule

    AlogP:
    1.54

    Polar Surface Area:
    59.92

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. Tetrahydrouridine
    ALA189886

    Name:
    1,2-Diphenyl-ethane-1,2-dione

    Mol. Formula:
    C14H10O2

    M.W.:
    210.23

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.58

    DETAILS
  3. Tetrahydrouridine
    ALA190660

    Name:
    2-Hydroxy-1,2-di-thiophen-2-yl-ethanone

    Mol. Formula:
    C10H8O2S2

    M.W.:
    224.31

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    37.30

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  4. Tetrahydrouridine
    ALA365445

    Name:
    1,2-Di-thiophen-2-yl-ethane-1,2-dione

    Mol. Formula:
    C10H6O2S2

    M.W.:
    222.29

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    34.14

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. Tetrahydrouridine
    ALA372716

    Name:
    1,2-Di-thiophen-3-yl-ethane-1,2-dione

    Mol. Formula:
    C10H6O2S2

    M.W.:
    222.29

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    34.14

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. Tetrahydrouridine
    ALA192592

    Name:
    1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione

    Mol. Formula:
    C10H4Br2O2S2

    M.W.:
    380.08

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    34.14

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. Tetrahydrouridine
    ALA364893

    Name:
    1,2-Di-furan-2-yl-2-hydroxy-ethanone

    Mol. Formula:
    C10H8O4

    M.W.:
    192.17

    Type:
    Small molecule

    AlogP:
    1.79

    Polar Surface Area:
    63.58

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. Tetrahydrouridine
    ALA190677

    Name:
    2-Hydroxy-1,2-diphenyl-ethanone

    Mol. Formula:
    C14H12O2

    M.W.:
    212.25

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  9. Tetrahydrouridine
    ALA190672

    Name:
    1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione

    Mol. Formula:
    C10H4Br2O2S2

    M.W.:
    380.08

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    34.14

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  10. Tetrahydrouridine
    ALA371181

    Name:
    1,2-Di-furan-2-yl-ethane-1,2-dione

    Mol. Formula:
    C10H6O4

    M.W.:
    190.15

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    60.42

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS