ID: ALA1947
Type: SINGLE PROTEIN
Synonyms: c-erbA-2 | c-erbA-beta | ERBA2 | NR1A2 | Nuclear receptor subfamily 1 group A member 2 | THR1 | THRB | Thyroid hormone receptor beta
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 A / Nuclear hormone receptor subfamily 1 group A member 2
ALA ID | Relationship | Pref Name | Target Type |
---|---|---|---|
ALA2111462 | SUBSET OF | Thyroid hormone receptor | PROTEIN COMPLEX |
Description | Relationship | Accession |
---|---|---|
Thyroid hormone receptor beta | PROTEIN | P10828 |
Name:
[4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid
Mol. Formula:
C20H24O4
M.W.:
328.41
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
66.76
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
Name:
{4-[3-(4-Amino-phenylethynyl)-4-hydroxy-5-isopropyl-benzyl]-3,5-dimethyl-phenoxy}-acetic acid (NH-4)
Mol. Formula:
C28H29NO4
M.W.:
443.54
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
92.78
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
Name:
{4-[4-Hydroxy-3-isopropyl-5-(4-pentyl-phenylethynyl)-benzyl]-3,5-dimethyl-phenoxy}-acetic acid (NH-2)
Mol. Formula:
C33H38O4
M.W.:
498.66
Type:
Small molecule
AlogP:
7.32
Polar Surface Area:
66.76
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
Name:
[4-(6-Hydroxy-5-isopropyl-4'-nitro-biphenyl-3-ylmethyl)-3,5-dimethyl-phenoxy]-acetic acid (GC-14)
Mol. Formula:
C26H27NO6
M.W.:
449.50
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
109.90
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
Name:
[4-(4-Hydroxy-3-isopropyl-5-phenylethynyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid (NH-1)
Mol. Formula:
C28H28O4
M.W.:
428.53
Type:
Small molecule
AlogP:
5.59
Polar Surface Area:
66.76
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50