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Indoleamine 2,3-dioxygenase

Name And Classification

ID:  ALA4685

Type:  SINGLE PROTEIN

Synonyms:   1.13.11.52 | IDO | IDO-1 | IDO1 | INDO | Indoleamine 2,3-dioxygenase 1 | Indoleamine-pyrrole 2,3-dioxygenase

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Enzyme / Oxidoreductase

Target Relations

ALA IDRelationshipPref NameTarget Type
ALA4742272SUBSET OFCereblon/Indoleamine 2,3-dioxygenase 1PROTEIN-PROTEIN INTERACTION
ALA5169061SUBSET OFIDO1/VHLPROTEIN-PROTEIN INTERACTION

Target Components

DescriptionRelationshipAccession
Indoleamine 2,3-dioxygenase 1PROTEINP14902

Associated Active Ligands

  1. Tetrahydrouridine
    ALA201489

    Name:
    N-[(Indol-3-yl)methyl]propanethioamide

    Mol. Formula:
    C12H14N2S

    M.W.:
    218.32

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    28.15

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. Tetrahydrouridine
    ALA382662

    Name:
    4-[(Indol-3-yl)methyl]thiazole

    Mol. Formula:
    C12H10N2S

    M.W.:
    214.29

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    28.68

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  3. Tetrahydrouridine
    ALA426479

    Name:
    4-[(Indol-3-yl)methyl]-2-methyl-thiazole

    Mol. Formula:
    C13H12N2S

    M.W.:
    228.32

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    28.68

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. Tetrahydrouridine
    ALA201005

    Name:
    N-[2-(Indol-3-yl)ethyl]-S-[(naphth-2-yl)methyl]dithiocarbamate

    Mol. Formula:
    C22H20N2S2

    M.W.:
    376.55

    Type:
    Small molecule

    AlogP:
    5.67

    Polar Surface Area:
    27.82

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. Tetrahydrouridine
    ALA203089

    Name:
    N-[2-(Indol-3-yl)ethyl]-S-[(pyrid-3-yl)methyl]dithiocarbamate

    Mol. Formula:
    C17H17N3S2

    M.W.:
    327.48

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    40.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  6. Tetrahydrouridine
    ALA201009

    Name:
    N-[2-(Indol-3-yl)ethyl]-S-[(pyrid-4-yl)methyl]dithiocarbamate

    Mol. Formula:
    C17H17N3S2

    M.W.:
    327.48

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    40.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  7. Tetrahydrouridine
    ALA201189

    Name:
    N-[1-(Indol-3-yl)ethyl]-N'-methyl-thiourea

    Mol. Formula:
    C12H15N3S

    M.W.:
    233.34

    Type:
    Small molecule

    AlogP:
    2.22

    Polar Surface Area:
    40.18

    HBA:
    1

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.42

    DETAILS
  8. Tetrahydrouridine
    ALA200979

    Name:
    Brassitin

    Mol. Formula:
    C11H12N2OS

    M.W.:
    220.30

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    44.89

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.82

    DETAILS
  9. Tetrahydrouridine
    ALA202881

    Name:
    N-[2-(Indol-3-yl)ethyl]-S-benzyl-dithiocarbamate

    Mol. Formula:
    C18H18N2S2

    M.W.:
    326.49

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    27.82

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. Tetrahydrouridine
    ALA381935

    Name:
    N-[2-(Benzo[b]thiophen-3-yl)ethyl]-S-methyl-dithiocarbamate

    Mol. Formula:
    C12H13NS3

    M.W.:
    267.44

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    12.36

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS