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Hemagglutinin-neuraminidase

Name And Classification

ID:  ALA1764934

Type:  SINGLE PROTEIN

Synonyms:   Hemagglutinin-neuraminidase

Organism:  Human parainfluenza virus 1

Species Group:  Human parainfluenza virus 1

Protein Target Classification:   Enzyme

Target Components

DescriptionRelationshipAccession
Hemagglutinin-neuraminidasePROTEINQ06992

Associated Active Ligands

  1. Tetrahydrouridine
    ALA1767326

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diethylamino)-3-(methylsulfonylimino)propoxy]-D-glycero-D-galactonon-2-enonic acid

    Mol. Formula:
    C19H33N3O10S

    M.W.:
    495.55

    Type:
    Small molecule

    AlogP:
    -1.95

    Polar Surface Area:
    195.29

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  2. Tetrahydrouridine
    ALA1767327

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(phenylamino)-3-(methanesulfonylimino)propoxy]-D-glycero-D-galactonon-2-enonic acid

    Mol. Formula:
    C21H29N3O10S

    M.W.:
    515.54

    Type:
    Small molecule

    AlogP:
    -1.18

    Polar Surface Area:
    204.08

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. Tetrahydrouridine
    ALA1767328

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diethylamino)-3-(tosylimino)propoxy]-D-glycero-D-galacto-non-2-enonic acid

    Mol. Formula:
    C25H37N3O10S

    M.W.:
    571.65

    Type:
    Small molecule

    AlogP:
    -0.21

    Polar Surface Area:
    195.29

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  4. Tetrahydrouridine
    ALA1767329

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diisopropylamino)-3-(tosylimino)propoxy]-D-glycero-D-galacto-non-2-enonic acid

    Mol. Formula:
    C27H41N3O10S

    M.W.:
    599.70

    Type:
    Small molecule

    AlogP:
    0.56

    Polar Surface Area:
    195.29

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  5. Tetrahydrouridine
    ALA1767330

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(isopropylamino)-3-(tosylimino)-propoxy]-D-glycero-D-galacto-non-2-enonic acid

    Mol. Formula:
    C24H35N3O10S

    M.W.:
    557.62

    Type:
    Small molecule

    AlogP:
    -0.56

    Polar Surface Area:
    204.08

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  6. Tetrahydrouridine
    ALA1767331

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-phenyl-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galacto-non-2-enonic acid

    Mol. Formula:
    C20H27N3O9S

    M.W.:
    485.52

    Type:
    Small molecule

    AlogP:
    -1.87

    Polar Surface Area:
    194.85

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  7. Tetrahydrouridine
    ALA1767332

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(4-fluorophenyl)-N'-(methylsulfonyl)acetimidamido]-D-glycero-Dgalacto-non-2-enonic acid

    Mol. Formula:
    C20H26FN3O9S

    M.W.:
    503.51

    Type:
    Small molecule

    AlogP:
    -1.73

    Polar Surface Area:
    194.85

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. Tetrahydrouridine
    ALA1767333

    Name:
    (2R,3R,4S)-3-acetamido-4-(N'-(methylsulfonyl)-2-(4-propylphenyl)acetimidamido)-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

    Mol. Formula:
    C23H33N3O9S

    M.W.:
    527.60

    Type:
    Small molecule

    AlogP:
    -0.92

    Polar Surface Area:
    194.85

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. Tetrahydrouridine
    ALA1767334

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-cyclohexenyl-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galacto-non-2-enonic acid

    Mol. Formula:
    C20H31N3O9S

    M.W.:
    489.55

    Type:
    Small molecule

    AlogP:
    -1.22

    Polar Surface Area:
    194.85

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. Tetrahydrouridine
    ALA1767335

    Name:
    5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(thiophen-2-yl)-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galactonon-2-enonic acid

    Mol. Formula:
    C18H25N3O9S2

    M.W.:
    491.54

    Type:
    Small molecule

    AlogP:
    -1.81

    Polar Surface Area:
    194.85

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS