DNA topoisomerase I
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ID: ALA1781
Type: SINGLE PROTEIN
Synonyms: 5.6.2.1 | DNA topoisomerase 1 | DNA topoisomerase I | TOP1
Organism: Homo sapiens
Species Group: Homo sapiens
ALA ID | Relationship | Pref Name | Target Type |
---|---|---|---|
ALA4106174 | SUBSET OF | Topoisomerase I/II | PROTEIN FAMILY |
Description | Relationship | Accession |
---|---|---|
DNA topoisomerase 1 | PROTEIN | P11387 |
Name:
Heptanoic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C23H28O6
M.W.:
400.47
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
Name:
Chloro-acetic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C18H17ClO6
M.W.:
364.78
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
Name:
Propionic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C19H20O6
M.W.:
344.36
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
Name:
Acetic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C18H18O6
M.W.:
330.34
Type:
Small molecule
AlogP:
2.69
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
Name:
Trichloro-acetic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C18H15Cl3O6
M.W.:
433.67
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
Name:
Butyric acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C20H22O6
M.W.:
358.39
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
Name:
(E)-Pent-2-enoic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C21H22O6
M.W.:
370.40
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
Name:
(2E,4E)-Hexa-2,4-dienoic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C22H22O6
M.W.:
382.41
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
Name:
Pent-4-enoic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C21H22O6
M.W.:
370.40
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
Name:
(E)-Hex-3-enoic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester
Mol. Formula:
C22H24O6
M.W.:
384.43
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42