Your company account is blocked and you cannot place orders. If you have questions, please contact your company administrator.

HERG

Name And Classification

ID:  ALA240

Type:  SINGLE PROTEIN

Synonyms:   Eag homolog | Eag-related protein 1 | ERG | ERG-1 | ERG1 | Ether-a-go-go-related gene potassium channel 1 | Ether-a-go-go-related protein 1 | H-ERG | HERG | hERG-1 | hERG1 | KCNH2 | Potassium voltage-gated channel subfamily H member 2 | Voltage-gated potassium channel subunit Kv11.1

Organism:  Homo sapiens

Species Group:  Homo sapiens

Protein Target Classification:   Ion channel / Voltage-gated ion channel / Potassium channels / Voltage-gated potassium channel

Target Relations

ALA IDRelationshipPref NameTarget Type
ALA2362996SUBSET OFVoltage-gated potassium channelPROTEIN FAMILY
ALA4106188SUBSET OFMelanin-concentrating hormone receptor 2/HERGSELECTIVITY GROUP

Target Components

DescriptionRelationshipAccession
Potassium voltage-gated channel subfamily H member 2PROTEINQ12809

Associated Active Ligands

  1. Tetrahydrouridine
    ALA473

    Name:
    N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide

    Mol. Formula:
    C19H27N3O5S2

    M.W.:
    441.58

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    104.81

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. Tetrahydrouridine
    ALA273235

    Name:
    5-Chloro-1-(4-fluoro-phenyl)-3-piperidin-4-yl-1H-indole

    Mol. Formula:
    C19H18ClFN2

    M.W.:
    328.82

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    16.96

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. Tetrahydrouridine
    ALA12186

    Name:
    1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl}-ethyl)-imidazolidin-2-one

    Mol. Formula:
    C24H24ClFN4O

    M.W.:
    438.93

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    40.51

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. Tetrahydrouridine
    ALA17157

    Name:
    1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol

    Mol. Formula:
    C32H41NO2

    M.W.:
    471.69

    Type:
    Small molecule

    AlogP:
    6.45

    Polar Surface Area:
    43.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. Tetrahydrouridine
    ALA708

    Name:
    5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-chloro-1,3-dihydro-indol-2-one

    Mol. Formula:
    C21H21ClN4OS

    M.W.:
    412.95

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  6. Tetrahydrouridine
    ALA845

    Name:
    8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine

    Mol. Formula:
    C17H17ClN4

    M.W.:
    312.80

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    39.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    0

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. Tetrahydrouridine
    ALA52832

    Name:
    4-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-yl]-1-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-butan-1-ol

    Mol. Formula:
    C31H39NO3

    M.W.:
    473.66

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    63.93

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. Tetrahydrouridine
    ALA298978

    Name:
    1-(2-{4-[1-(4-Fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidine-2-thione

    Mol. Formula:
    C24H27FN4S

    M.W.:
    422.57

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    23.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  9. Tetrahydrouridine
    ALA52999

    Name:
    4-(5-Chloro-3-{1-[2-(2-oxo-imidazolidin-1-yl)-ethyl]-piperidin-4-yl}-indol-1-yl)-benzoic acid methyl ester

    Mol. Formula:
    C26H29ClN4O3

    M.W.:
    481.00

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    66.81

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. Tetrahydrouridine
    ALA301992

    Name:
    1-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethanone

    Mol. Formula:
    C16H11ClFNO

    M.W.:
    287.72

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    22.00

    HBA:
    2

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS