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Protein-tyrosine phosphatase 1B

Name And Classification

ID:  ALA2371

Type:  SINGLE PROTEIN

Synonyms:   3.1.3.48 | Protein-tyrosine phosphatase 1B | PTP-1B | Ptpn1 | Tyrosine-protein phosphatase non-receptor type 1

Organism:  Rattus norvegicus

Species Group:  Rattus norvegicus

Protein Target Classification:   Enzyme / Phosphatase / Protein Phosphatase / Tyrosine protein phosphatase

Target Components

DescriptionRelationshipAccession
Tyrosine-protein phosphatase non-receptor type 1PROTEINP20417

Associated Active Ligands

  1. Tetrahydrouridine
    ALA6599

    Name:
    2-(3-{4-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-but-2-enyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C24H20F3N3O5

    M.W.:
    487.43

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  2. Tetrahydrouridine
    ALA265622

    Name:
    2-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-but-2-enyl)-[1,2,4]thiadiazolidine-3,5-dione

    Mol. Formula:
    C24H20F3N3O4S

    M.W.:
    503.50

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    90.12

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. Tetrahydrouridine
    ALA414010

    Name:
    2-(3-{3-[2-(4-Chloro-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl}-1-methyl-allyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C23H20ClN3O5

    M.W.:
    453.88

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. Tetrahydrouridine
    ALA7029

    Name:
    2-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-but-2-enyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C24H20F3N3O5

    M.W.:
    487.43

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. Tetrahydrouridine
    ALA6637

    Name:
    2-[3-(4-{2-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-yl]-ethoxy}-phenyl)-but-2-enyl]-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C25H22F3N3O5

    M.W.:
    501.46

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  6. Tetrahydrouridine
    ALA7205

    Name:
    2-(3-{3-[5-Methyl-2-(4-trifluoromethoxy-phenyl)-oxazol-4-ylmethoxy]-phenyl}-butyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C24H22F3N3O6

    M.W.:
    505.45

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    112.49

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. Tetrahydrouridine
    ALA267877

    Name:
    2-(3-(4-Fluoro-phenyl)-3-{3-[5-methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-allyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C29H21F4N3O5

    M.W.:
    567.50

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. Tetrahydrouridine
    ALA6803

    Name:
    2-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-4-phenyl-but-2-enyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C30H24F3N3O5

    M.W.:
    563.53

    Type:
    Small molecule

    AlogP:
    6.02

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. Tetrahydrouridine
    ALA268811

    Name:
    2-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-hex-2-enyl)-[1,2,4]oxadiazolidine-3,5-dione

    Mol. Formula:
    C26H24F3N3O5

    M.W.:
    515.49

    Type:
    Small molecule

    AlogP:
    5.57

    Polar Surface Area:
    103.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. Tetrahydrouridine
    ALA6518

    Name:
    [2-(3-{3-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-ylmethoxy]-phenyl}-undec-2-enyl)-3,5-dioxo-[1,2,4]oxadiazolidin-4-yl]-acetic acid

    Mol. Formula:
    C33H36F3N3O7

    M.W.:
    643.66

    Type:
    Small molecule

    AlogP:
    7.08

    Polar Surface Area:
    129.70

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS