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Bile acid receptor FXR

Name And Classification

ID:  ALA2047

Type:  SINGLE PROTEIN

Synonyms:   BAR | Bile acid receptor | Farnesoid X-activated receptor | Farnesol receptor HRR-1 | FXR | HRR1 | NR1H4 | Nuclear receptor subfamily 1 group H member 4 | Retinoid X receptor-interacting protein 14 | RIP14 | RXR-interacting protein 14

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 H / Nuclear hormone receptor subfamily 1 group H member 4

Target Components

DescriptionRelationshipAccession
Bile acid receptorPROTEINQ96RI1

Associated Active Ligands

  1. Tetrahydrouridine
    ALA319544

    Name:
    3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C28H23Cl2NO4

    M.W.:
    508.40

    Type:
    Small molecule

    AlogP:
    8.02

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  2. Tetrahydrouridine
    ALA103394

    Name:
    3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-methyl-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C29H25Cl2NO4

    M.W.:
    522.43

    Type:
    Small molecule

    AlogP:
    8.53

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  3. Tetrahydrouridine
    ALA318457

    Name:
    3-(2-{2-Chloro-4-[3-(2,6-dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C28H22Cl3NO4

    M.W.:
    542.85

    Type:
    Small molecule

    AlogP:
    8.87

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. Tetrahydrouridine
    ALA101381

    Name:
    3-(2-{4-[3-(2-Bromo-6-chloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-chloro-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C28H22BrCl2NO4

    M.W.:
    587.30

    Type:
    Small molecule

    AlogP:
    8.98

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. Tetrahydrouridine
    ALA318280

    Name:
    3-(2-{2-Chloro-4-[3-(2,6-dichloro-benzyl)-5-ethyl-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C28H22Cl3NO4

    M.W.:
    542.85

    Type:
    Small molecule

    AlogP:
    8.24

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  6. Tetrahydrouridine
    ALA419721

    Name:
    3-(2-{2-Chloro-4-[5-ethyl-3-(2-trifluoromethoxy-phenyl)-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C28H21ClF3NO5

    M.W.:
    543.93

    Type:
    Small molecule

    AlogP:
    7.90

    Polar Surface Area:
    81.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  7. Tetrahydrouridine
    ALA101327

    Name:
    3-(2-{2-Chloro-4-[5-ethyl-3-(2-fluoro-6-trifluoromethyl-phenyl)-isoxazol-4-ylmethoxy]-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C28H20ClF4NO4

    M.W.:
    545.92

    Type:
    Small molecule

    AlogP:
    8.16

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. Tetrahydrouridine
    ALA101547

    Name:
    4-(2-{4-[3-(2,6-Dichloro-phenyl)-5-ethyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C29H25Cl2NO4

    M.W.:
    522.43

    Type:
    Small molecule

    AlogP:
    8.28

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. Tetrahydrouridine
    ALA319606

    Name:
    4-(2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C30H27Cl2NO4

    M.W.:
    536.46

    Type:
    Small molecule

    AlogP:
    8.84

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. Tetrahydrouridine
    ALA319861

    Name:
    3-(2-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-2,6-dimethyl-phenyl}-vinyl)-benzoic acid

    Mol. Formula:
    C30H27Cl2NO4

    M.W.:
    536.46

    Type:
    Small molecule

    AlogP:
    8.84

    Polar Surface Area:
    72.56

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS