Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
HDAC_HUMAN (2017 - Homo sapiens - Histone DeACetylases)
Download :
Data.csv
|
3D Common Core
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
TSN - [nb=105] --> TRICHOSTATIN A
CHAIN - [nb=63] --> tetrapeptide substrate
B3N - [nb=59] --> .....NO)-7-OXOHEPTYL]BENZAMIDE
SHH - [nb=54] --> ..... HYDROXYAMIDE PHENYLAMIDE
TFG - [nb=34] --> .....PHEN-2-YL}ETHANE-1,1-DIOL
NU7 - [nb=24] --> .....-OXADIAZOL-3-YL]BENZAMIDE
HA3 - [nb=21] --> .....L]THIOPHENE-2-CARBOXAMIDE
FKS - [nb=20] --> .....trifluoroheptane-2,2-diol
9F4 - [nb=15] --> .....YCLOPROPANE-1-CARBOXAMIDE
OTF - [nb=14] --> .....YCLOPROPANE-1-CARBOXAMIDE
MCM - [nb=13] --> .....NO-4-METHYL-CHROMEN-2-ONE
NHB - [nb=12] --> .....]SULFONYL}AMINO)BENZAMIDE
5OJ - [nb=12] --> .....]-~{N}-oxidanyl-benzamide
E1Z - [nb=12] --> S-TRICHOSTATIN A
V5X - [nb=12] --> .....-3-YL)ETHYL]OCTANEDIAMIDE
5OG - [nb=12] --> Belinostat
LBH - [nb=12] --> Panobinostat
AGE - [nb=10] --> .....YRROL-2-YL]PROP-2-ENAMIDE
20Y - [nb=10] --> .....HEN-2-YL)PHENYL]BENZAMIDE
L7G - [nb=9] --> .....18-TETRAENE-6,9,13-TRIONE
L8G - [nb=9] --> .....18-TETRAENE-6,9,13-TRIONE
L6G - [nb=8] --> .....(19)-TRIENE-6,9,13-TRIONE
NU9 - [nb=8] --> .....-OXADIAZOL-3-YL]BENZAMIDE
N4R - [nb=8] --> NEXTURASTAT A
5YA - [nb=8] --> .....l-~{N}-oxidanyl-benzamide
XCH - [nb=7] --> Droxinostat
LLX - [nb=6] --> .....NOBIPHENYL-3-YL)BENZAMIDE
IWX - [nb=6] --> .....-3-yl)oxane-4-carboxamide
FMT - [nb=6] --> FORMIC ACID
XS6 - [nb=6] --> .....mino]-N-hydroxyhexanamide
5OK - [nb=6] --> Oxamflatin
1DI - [nb=5] --> .....SOINDOL-2-YL)PROPAN-1-ONE
0DI - [nb=5] --> .....PERAZIN-1-YL]PROPAN-1-ONE
6EZ - [nb=4] --> ......2.1]octane-3-carboxamide
EDO - [nb=3] --> 1,2-ETHANEDIOL
6XA - [nb=2] --> .....amino-N-hydroxyhexanamide
IMD - [nb=2] --> IMIDAZOLE
5XA - [nb=1] --> .....mino-N-hydroxypentanamide
GOL - [nb=1] --> GLYCEROL
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
HDAC1_HUMAN
83
100%
0.62
PF00850
C3_S1
155 -
(0)
19
- /
2
/
46
12
2
HDAC2_HUMAN
84
100%
0.62
PF00850
C2_S1
156 -
(0)
19
- /
4
/
46
12
3
HDAC8_HUMAN
102
100%
0.65
PF00850
C3_S1
199 -
(0)
19
- /
11
/
65
35
4
HDAC5_HUMAN
92
77%
0.54
PF00850
C4_S1
139 -
(0)
20
- /
14
/
55
30
5
HDAC3_HUMAN
118
100%
0.57
PF00850
C2_S1
210 -
(0)
20
- /
20
/
79
26
6
HDAC7_HUMAN
135
100%
0.51
PF00850
C5_S1
209 -
(0)
20
- /
14
/
83
25
7
HDA11_HUMAN
20
34%
0.39
PF00850
C5_S1
37 -
(0)
8
- / - /
6
0
8
HDAC6_HUMAN
51
100%
0.55
PF00850
C3_S1
54 -
(0)
20
- /
12
/
31
24
9
HDA10_HUMAN
52
54%
0.58
PF00850
C3_S1
54 -
(0)
20
- /
9
/
32
21
10
HDAC9_HUMAN
61
74%
0.51
PF00850
C6_S1
66 -
(0)
20
- /
9
/
37
29
11
HDAC4_HUMAN
61
100%
0.54
PF00850
C4_S1
78 -
(0)
20
- /
12
/
37
29
<<
Page
1
/ 1
>>
- Show
50
100
250
500
All