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Thyroid hormone receptor beta-1

Name And Classification

ID:  ALA1947

Type:  SINGLE PROTEIN

Synonyms:   c-erbA-2 | c-erbA-beta | ERBA2 | NR1A2 | Nuclear receptor subfamily 1 group A member 2 | THR1 | THRB | Thyroid hormone receptor beta

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Transcription factor / Nuclear receptor / Nuclear hormone receptor subfamily 1 / Nuclear hormone receptor subfamily 1 group A / Nuclear hormone receptor subfamily 1 group A member 2

Target Relations

ALA IDRelationshipPref NameTarget Type
ALA2111462SUBSET OFThyroid hormone receptorPROTEIN COMPLEX

Target Components

DescriptionRelationshipAccession
Thyroid hormone receptor betaPROTEINP10828

Associated Active Ligands

  1. Tetrahydrouridine
    ALA6497

    Name:
    SID29217906

    Mol. Formula:
    C10H14N2O5

    M.W.:
    242.23

    Type:
    Small molecule

    AlogP:
    -1.51

    Polar Surface Area:
    104.55

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. Tetrahydrouridine
    ALA9850

    Name:
    SID26749804

    Mol. Formula:
    C10H12N4O5

    M.W.:
    268.23

    Type:
    Small molecule

    AlogP:
    -1.86

    Polar Surface Area:
    133.75

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. Tetrahydrouridine
    ALA13045

    Name:
    SID11110929

    Mol. Formula:
    C21H18NO4+

    M.W.:
    348.38

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    40.80

    HBA:
    4

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. Tetrahydrouridine
    ALA48166

    Name:
    SID26752991

    Mol. Formula:
    C21H20N3+

    M.W.:
    314.41

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    55.92

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. Tetrahydrouridine
    ALA302562

    Name:
    SID50112568

    Mol. Formula:
    C16H22N6O4

    M.W.:
    362.39

    Type:
    Protein

    AlogP:
    -1.81

    Polar Surface Area:
    150.28

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  6. Tetrahydrouridine
    ALA107400

    Name:
    [4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid

    Mol. Formula:
    C20H24O4

    M.W.:
    328.41

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    66.76

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  7. Tetrahydrouridine
    ALA110158

    Name:
    {4-[3-(4-Amino-phenylethynyl)-4-hydroxy-5-isopropyl-benzyl]-3,5-dimethyl-phenoxy}-acetic acid (NH-4)

    Mol. Formula:
    C28H29NO4

    M.W.:
    443.54

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    92.78

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  8. Tetrahydrouridine
    ALA109430

    Name:
    {4-[4-Hydroxy-3-isopropyl-5-(4-pentyl-phenylethynyl)-benzyl]-3,5-dimethyl-phenoxy}-acetic acid (NH-2)

    Mol. Formula:
    C33H38O4

    M.W.:
    498.66

    Type:
    Small molecule

    AlogP:
    7.32

    Polar Surface Area:
    66.76

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  9. Tetrahydrouridine
    ALA112087

    Name:
    [4-(6-Hydroxy-5-isopropyl-4'-nitro-biphenyl-3-ylmethyl)-3,5-dimethyl-phenoxy]-acetic acid (GC-14)

    Mol. Formula:
    C26H27NO6

    M.W.:
    449.50

    Type:
    Small molecule

    AlogP:
    5.76

    Polar Surface Area:
    109.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. Tetrahydrouridine
    ALA111953

    Name:
    [4-(4-Hydroxy-3-isopropyl-5-phenylethynyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid (NH-1)

    Mol. Formula:
    C28H28O4

    M.W.:
    428.53

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    66.76

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS