ID: ALA5523
Type: SINGLE PROTEIN
Synonyms: 2.1.1.364 | H3-K4-HMTase SETD7 | Histone H3-K4 methyltransferase SETD7 | Histone-lysine N-methyltransferase SETD7 | KIAA1717 | KMT7 | Lysine N-methyltransferase 7 | SET domain-containing protein 7 | SET7 | SET7/9 | SET9 | SET9 GN | SETD7 | Synonyms=KIAA1717
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Epigenetic regulator / Writer / Protein methyltransferase / SET domain
Description | Relationship | Accession |
---|---|---|
Histone-lysine N-methyltransferase SETD7 | PROTEIN | Q8WTS6 |
Name:
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(2-(phenethylamino)ethyl)amino)butanoic acid
Mol. Formula:
C24H34N8O5
M.W.:
514.59
Type:
Small molecule
AlogP:
-1.04
Polar Surface Area:
197.90
HBA:
12
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
Name:
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(2-(methylamino)ethyl)amino)butanoic acid
Mol. Formula:
C17H28N8O5
M.W.:
424.46
Type:
Small molecule
AlogP:
-2.65
Polar Surface Area:
197.90
HBA:
12
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
Name:
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(2-(propylamino)ethyl)amino)butanoic acid
Mol. Formula:
C19H32N8O5
M.W.:
452.52
Type:
Small molecule
AlogP:
-1.87
Polar Surface Area:
197.90
HBA:
12
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.20
Name:
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(2-(hexylamino)ethyl)amino)butanoic acid
Mol. Formula:
C22H38N8O5
M.W.:
494.60
Type:
Small molecule
AlogP:
-0.70
Polar Surface Area:
197.90
HBA:
12
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
Name:
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(hexyl)amino)butanoic acid
Mol. Formula:
C20H33N7O5
M.W.:
451.53
Type:
Small molecule
AlogP:
-0.29
Polar Surface Area:
185.87
HBA:
11
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.27
Name:
(S)-4-(3-(5-Bromo-1H-indol-1-yl)benzylthio)-2-aminobutanoic acid
Mol. Formula:
C19H19BrN2O2S
M.W.:
419.34
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
68.25
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
Name:
4-(3-(5-Bromo-1H-indol-1-yl)benzylthio)butanoic acid
Mol. Formula:
C19H18BrNO2S
M.W.:
404.33
Type:
Small molecule
AlogP:
5.49
Polar Surface Area:
42.23
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
Name:
3-(3-(5-Bromo-1H-indol-1-yl)benzylthio)benzoic acid
Mol. Formula:
C22H16BrNO2S
M.W.:
438.35
Type:
Small molecule
AlogP:
6.38
Polar Surface Area:
42.23
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
Name:
3-(3-(4-Bromo-1H-indol-1-yl)benzylthio)benzoic acid
Mol. Formula:
C22H16BrNO2S
M.W.:
438.35
Type:
Small molecule
AlogP:
6.38
Polar Surface Area:
42.23
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
Name:
3-(3-(4-Phenyl-1H-indol-1-yl)benzylthio)benzoic acid
Mol. Formula:
C28H21NO2S
M.W.:
435.55
Type:
Small molecule
AlogP:
7.29
Polar Surface Area:
42.23
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28