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Histone-lysine N-methyltransferase, H3 lysine-9 specific 3

Name And Classification

ID:  ALA6032

Type:  SINGLE PROTEIN

Synonyms:   2.1.1.- | 2.1.1.367 | BAT8 | C6orf30 | EHMT2 | Euchromatic histone-lysine N-methyltransferase 2 | G9A | H3-K9-HMTase 3 | Histone H3-K9 methyltransferase 3 | Histone-lysine N-methyltransferase EHMT2 | HLA-B-associated transcript 8 | KMT1C | Lysine N-methyltransferase 1C | NG36 | Protein G9a

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Epigenetic regulator / Writer / Protein methyltransferase

Target Relations

ALA IDRelationshipPref NameTarget Type
ALA3885593SUBSET OFHistone-lysine N-methyltransferase EHMT1/EHMT2PROTEIN FAMILY

Target Components

DescriptionRelationshipAccession
Histone-lysine N-methyltransferase EHMT2PROTEINQ96KQ7

Associated Active Ligands

  1. Tetrahydrouridine
    ALA15088

    Name:
    SID90341433

    Mol. Formula:
    C20H24N2O2

    M.W.:
    324.42

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    45.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  2. Tetrahydrouridine
    ALA356431

    Name:
    SID29217893

    Mol. Formula:
    C42H65N13O10

    M.W.:
    912.06

    Type:
    Small molecule

    AlogP:
    -2.51

    Polar Surface Area:
    357.55

    HBA:
    12

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  3. Tetrahydrouridine
    ALA350239

    Name:
    SID26758026

    Mol. Formula:
    C24H26FNO4

    M.W.:
    411.47

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    82.69

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  4. Tetrahydrouridine
    ALA576781

    Name:
    7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

    Mol. Formula:
    C26H43N7O2

    M.W.:
    485.68

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    69.23

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  5. Tetrahydrouridine
    ALA583046

    Name:
    6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(tetrahydro-2H-pyran-4-yl)quinazolin-4-amine

    Mol. Formula:
    C21H31N5O3

    M.W.:
    401.51

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    71.98

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  6. Tetrahydrouridine
    ALA571717

    Name:
    6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-morpholinoquinazolin-4-amine

    Mol. Formula:
    C20H29N5O3

    M.W.:
    387.48

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    71.98

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  7. Tetrahydrouridine
    ALA585180

    Name:
    N2,N2-diethyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

    Mol. Formula:
    C20H31N5O2

    M.W.:
    373.50

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    62.75

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. Tetrahydrouridine
    ALA568963

    Name:
    N-cyclohexyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine

    Mol. Formula:
    C22H33N5O2

    M.W.:
    399.54

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    62.75

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  9. Tetrahydrouridine
    ALA568964

    Name:
    N-cyclopropyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine

    Mol. Formula:
    C19H27N5O2

    M.W.:
    357.46

    Type:
    Small molecule

    AlogP:
    2.36

    Polar Surface Area:
    62.75

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  10. Tetrahydrouridine
    ALA576260

    Name:
    6,7-dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

    Mol. Formula:
    C18H27N5O2

    M.W.:
    345.45

    Type:
    Small molecule

    AlogP:
    2.22

    Polar Surface Area:
    62.75

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS