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Signal transducer and activator of transcription 3

Name And Classification

ID:  ALA4026

Type:  SINGLE PROTEIN

Synonyms:   Acute-phase response factor | Signal transducer and activator of transcription 3 | STAT3 | Synonyms=APRF

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Transcription factor

Target Relations

ALA IDRelationshipPref NameTarget Type
ALA4523691SUBSET OFProtein cereblon/STAT3PROTEIN-PROTEIN INTERACTION
ALA4296101SUBSET OFPTPN9/STAT3PROTEIN-PROTEIN INTERACTION

Target Components

DescriptionRelationshipAccession
Signal transducer and activator of transcription 3PROTEINP40763

Associated Active Ligands

  1. Tetrahydrouridine
    ALA156407

    Name:
    Phosphoric acid mono-(4-{(R)-2-acetylamino-2-[(R)-1-((S)-2-{(S)-3-carbamoyl-1-[(S)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-3-methyl-butylcarbamoyl]-ethyl}-phenyl) ester

    Mol. Formula:
    C35H55N8O12P

    M.W.:
    810.84

    Type:
    Protein

    AlogP:
    -1.39

    Polar Surface Area:
    318.75

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  2. Tetrahydrouridine
    ALA156465

    Name:
    Phosphoric acid mono-(4-{(R)-2-acetylamino-2-[(R)-1-((S)-2-{(S)-1-[(1S,2R)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-propylcarbamoyl]-ethylcarbamoyl}-pyrrolidine-1-carbonyl)-3-methyl-butylcarbamoyl]-ethyl}-phenyl) ester

    Mol. Formula:
    C34H54N7O12P

    M.W.:
    783.82

    Type:
    Protein

    AlogP:
    -1.28

    Polar Surface Area:
    295.89

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  3. Tetrahydrouridine
    ALA160730

    Name:
    Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-((R)-2-{(S)-1-[(S)-1-((S)-5-amino-1-carbamoyl-pentylcarbamoyl)-ethylcarbamoyl]-3-carbamoyl-propylcarbamoyl}-pyrrolidine-1-carbonyl)-3-carbamoyl-propylcarbamoyl]-ethyl}-phenyl) ester

    Mol. Formula:
    C35H55N10O13P

    M.W.:
    854.86

    Type:
    Protein

    AlogP:
    -3.70

    Polar Surface Area:
    387.86

    HBA:
    12

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  4. Tetrahydrouridine
    ALA347438

    Name:
    (S)-2-[((R)-1-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-4-methyl-pentanoyl}-pyrrolidine-2-carbonyl)-amino]-pentanedioic acid 5-amide 1-{[(1S,2R)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-propyl]-amide}

    Mol. Formula:
    C36H56N8O10

    M.W.:
    760.89

    Type:
    Protein

    AlogP:
    -1.80

    Polar Surface Area:
    292.45

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  5. Tetrahydrouridine
    ALA157727

    Name:
    (R)-2-((2R,3R)-2-{(R)-2-[((R)-1-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-methyl-pentanoyl}-pyrrolidine-2-carbonyl)-amino]-4-carbamoyl-butyrylamino}-3-hydroxy-butyrylamino)-propionic acid

    Mol. Formula:
    C34H52N7O14P

    M.W.:
    813.80

    Type:
    Protein

    AlogP:
    -2.07

    Polar Surface Area:
    333.19

    HBA:
    11

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  6. Tetrahydrouridine
    ALA156046

    Name:
    Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(1-{(S)-3-carbamoyl-1-[(1S,2R)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-propylcarbamoyl]-propylcarbamoyl}-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-ethyl}-phenyl) ester

    Mol. Formula:
    C34H55N8O13P

    M.W.:
    814.83

    Type:
    Small molecule

    AlogP:
    -2.52

    Polar Surface Area:
    347.77

    HBA:
    11

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  7. Tetrahydrouridine
    ALA405322

    Name:
    4-{(S)-2-Acetylamino-2-[(S)-1-((R)-2-{(S)-3-carbamoyl-1-[(1S,2R)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-propylcarbamoyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-3-methyl-butylcarbamoyl]-ethyl}-benzoic acid

    Mol. Formula:
    C37H56N8O11

    M.W.:
    788.90

    Type:
    Protein

    AlogP:
    -1.80

    Polar Surface Area:
    309.52

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  8. Tetrahydrouridine
    ALA348612

    Name:
    (S)-3-[(S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-methyl-pentanoylamino}-5-guanidino-pentanoylamino)-3-mercapto-propionylamino]-4-((S)-1-carbamoyl-2-hydroxy-ethylamino)-butyric acid

    Mol. Formula:
    C33H55N10O13PS

    M.W.:
    862.90

    Type:
    Small molecule

    AlogP:
    -3.92

    Polar Surface Area:
    389.31

    HBA:
    13

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.01

    DETAILS
  9. Tetrahydrouridine
    ALA156448

    Name:
    (S)-3-{2-[(S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-3-methyl-butyrylamino}-4-methyl-pentanoylamino)-4-carbamoyl-butyrylamino]-acetylamino}-succinamic acid

    Mol. Formula:
    C33H51N8O14P

    M.W.:
    814.79

    Type:
    Protein

    AlogP:
    -2.81

    Polar Surface Area:
    364.84

    HBA:
    11

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  10. Tetrahydrouridine
    ALA436427

    Name:
    (S)-4-[(S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-methyl-pentanoylamino}-6-amino-hexanoylamino)-4-carbamoyl-butyrylamino]-4-((S)-1-carbamoyl-2-hydroxy-ethylcarbamoyl)-butyric acid

    Mol. Formula:
    C36H58N9O15P

    M.W.:
    887.88

    Type:
    Protein

    AlogP:
    -3.59

    Polar Surface Area:
    411.09

    HBA:
    13

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    29

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS