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Inhibitor of nuclear factor kappa B kinase epsilon subunit
Name And Classification
ID: ALA3529
Type: SINGLE PROTEIN
Synonyms: 2.7.11.10 | I-kappa-B kinase epsilon | IKBKE | IkBKE | IKK-E | IKK-epsilon | IKK-i | IKKE | IKKI | Inducible I kappa-B kinase | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | KIAA0151
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Enzyme / Kinase / Protein Kinase / Other protein kinase group
Target Relations
ALA ID | Relationship | Pref Name | Target Type |
---|
ALA4296146 | SUBSET OF | von Hippel-Lindau disease tumor suppressor/Inhibitor of nuclear factor kappa-B kinase subunit epsilon | PROTEIN-PROTEIN INTERACTION |
ALA3038486 | SUBSET OF | IKK epsilon/TBK1 | PROTEIN COMPLEX |
Target Components
Description | Relationship | Accession |
Inhibitor of nuclear factor kappa-B kinase subunit epsilon | PROTEIN | Q14164 |
Associated Recombinant Proteins
Name | Specification and purity | Expression system | Protein label | Activity | View Details |
---|
Associated Active Ligands
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ALA360847Name:
SID103905239
Mol. Formula:
C28H28N4O3
M.W.:
468.56
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
68.50
HBA:
6
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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ALA374440Name:
3-(2-(trifluoromethyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carbonitrile
Mol. Formula:
C22H16F3N3O3S
M.W.:
459.45
Type:
Small molecule
AlogP:
5.57
Polar Surface Area:
69.30
HBA:
7
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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ALA222318Name:
3-(2-(trifluoromethyl)benzyloxy)-5-(6-methoxy-5-(2-morpholinoethoxy)-1H-benzo[d]imidazol-1-yl)thiophene-2-carbonitrile
Mol. Formula:
C27H25F3N4O4S
M.W.:
558.58
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
81.77
HBA:
9
HBD:
0
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
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ALA220090Name:
3-(2-(trifluoromethyl)benzyloxy)-5-(5-(3-hydroxypropoxy)-6-methoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carbonitrile
Mol. Formula:
C24H20F3N3O4S
M.W.:
503.50
Type:
Small molecule
AlogP:
5.33
Polar Surface Area:
89.53
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
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ALA220145Name:
5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)-3-((R)-1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carbonitrile
Mol. Formula:
C23H18F3N3O3S
M.W.:
473.48
Type:
Small molecule
AlogP:
6.13
Polar Surface Area:
69.30
HBA:
7
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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ALA219845Name:
5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)-3-(2-morpholinoethoxy)thiophene-2-carbonitrile
Mol. Formula:
C20H22N4O4S
M.W.:
414.49
Type:
Small molecule
AlogP:
2.69
Polar Surface Area:
81.77
HBA:
9
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
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ALA219992Name:
5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)-3-hydroxythiophene-2-carbonitrile
Mol. Formula:
C14H11N3O3S
M.W.:
301.33
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
80.30
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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ALA375379Name:
3-(cyclopropylmethoxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carbonitrile
Mol. Formula:
C18H17N3O3S
M.W.:
355.42
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
69.30
HBA:
7
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
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ALA221063Name:
5-(1H-benzo[d]imidazol-1-yl)-3-(benzyloxy)thiophene-2-carbonitrile
Mol. Formula:
C19H13N3OS
M.W.:
331.40
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
50.84
HBA:
5
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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ALA223425Name:
5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)-3-(2-(piperidin-1-yl)ethoxy)thiophene-2-carbonitrile
Mol. Formula:
C21H24N4O3S
M.W.:
412.52
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
72.54
HBA:
8
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE