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Human immunodeficiency virus type 1 reverse transcriptase

Name And Classification

ID:  ALA247

Type:  SINGLE PROTEIN

Synonyms:   pol | Reverse transcriptase/RNaseH

Organism:  Human immunodeficiency virus 1

Species Group:  Human immunodeficiency virus 1

Protein Target Classification:   Enzyme / Hydrolase

Target Components

DescriptionRelationshipAccession
Reverse transcriptase/RNaseHPROTEINQ72547

Associated Antibodies

NameSpecificationsSpecies reactivityspeciesApplicationView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA7118

    Name:
    2-[4-(1H-Indole-2-carbonyl)-piperazin-1-yl]-nicotinonitrile

    Mol. Formula:
    C19H17N5O

    M.W.:
    331.38

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  2. Tetrahydrouridine
    ALA6990

    Name:
    [4-(3-Amino-pyridin-2-yl)-piperazin-1-yl]-(1H-indol-2-yl)-methanone

    Mol. Formula:
    C18H19N5O

    M.W.:
    321.38

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    78.25

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. Tetrahydrouridine
    ALA7163

    Name:
    Benzofuran-2-yl-[4-(3-ethylamino-pyridin-2-yl)-piperazin-1-yl]-methanone

    Mol. Formula:
    C20H22N4O2

    M.W.:
    350.42

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    61.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  4. Tetrahydrouridine
    ALA7164

    Name:
    (1H-Indol-2-yl)-[4-(3-nitro-pyridin-2-yl)-piperazin-1-yl]-methanone

    Mol. Formula:
    C18H17N5O3

    M.W.:
    351.37

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    95.37

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  5. Tetrahydrouridine
    ALA267973

    Name:
    3-[4-(3-Ethylamino-pyridin-2-yl)-piperazine-1-carbonyl]-chromen-2-one

    Mol. Formula:
    C21H22N4O3

    M.W.:
    378.43

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    78.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  6. Tetrahydrouridine
    ALA6479

    Name:
    [4-(3-Ethylamino-pyridin-2-yl)-piperazin-1-yl]-furan-2-yl-methanone

    Mol. Formula:
    C16H20N4O2

    M.W.:
    300.36

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    61.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  7. Tetrahydrouridine
    ALA266545

    Name:
    [4-(3-Ethylamino-pyridin-2-yl)-piperazin-1-yl]-thiophen-2-yl-methanone

    Mol. Formula:
    C16H20N4OS

    M.W.:
    316.43

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  8. Tetrahydrouridine
    ALA269382

    Name:
    [4-(3-Ethylamino-pyridin-2-yl)-piperazin-1-yl]-(1H-pyrrol-2-yl)-methanone

    Mol. Formula:
    C16H21N5O

    M.W.:
    299.38

    Type:
    Small molecule

    AlogP:
    1.80

    Polar Surface Area:
    64.26

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  9. Tetrahydrouridine
    ALA266321

    Name:
    Benzooxazol-2-yl-[4-(3-ethylamino-pyridin-2-yl)-piperazin-1-yl]-methanone

    Mol. Formula:
    C19H21N5O2

    M.W.:
    351.41

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    74.50

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. Tetrahydrouridine
    ALA269331

    Name:
    (1H-Indol-2-yl)-[4-(3-methylamino-pyridin-2-yl)-piperazin-1-yl]-methanone

    Mol. Formula:
    C19H21N5O

    M.W.:
    335.41

    Type:
    Small molecule

    AlogP:
    2.57

    Polar Surface Area:
    64.26

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS