Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SLC (Dec 2015)
Download :
Data.csv
|
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
ASP - [nb=131] --> ASPARTIC ACID
CDL - [nb=22] --> CARDIOLIPIN
TB1 - [nb=21] --> .....ENZYLOXY)-L-ASPARTIC ACID
42F - [nb=6] --> ......2.1]octane-2-carboxylate
42J - [nb=5] --> .....dichlorophenyl)ethanamine
BOG - [nb=5] --> SUGAR (B-OCTYLGLUCOSIDE)
B40 - [nb=5] --> .....yl-1-phenylpropan-2-amine
41U - [nb=5] --> nisoxetine
21B - [nb=4] --> NORTRIPTYLINE
42L - [nb=4] --> ......2.1]octane-2-carboxylate
41X - [nb=4] --> .....(phenyl)methyl]morpholine
LDP - [nb=4] --> L-DOPAMINE
ATP - [nb=4] --> ADENOSINE-5'-TRIPHOSPHATE
CM5 - [nb=3] --> .....1-PENTYL-BETA-D-MALTOSIDE
COC - [nb=3] --> COCAINE
N9S - [nb=3] --> .....osyl-beta-D-glucopyranose
1WE - [nb=3] --> .....S)-1-phenylpropan-2-amine
APC - [nb=2] --> .....HONIC ACID ADENOSYL ESTER
NAG - [nb=2] --> N-ACETYL-D-GLUCOSAMINE
MAL - [nb=2] --> MALTOSE
6BG - [nb=1] --> .....EOXY-BETA-D-GLUCOPYRANOSE
OLC - [nb=1] --> .....pyl (9Z)-octadec-9-enoate
37X - [nb=1] --> ..... Glucose Neopentyl Glycol
DMU - [nb=1] --> .....YL-BETA-D-MALTOPYRANOSIDE
Y01 - [nb=1] --> CHOLESTEROL HEMISUCCINATE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
50
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
51
S22AF_HUMAN
6
50%
0.226
PF07690
12 -
(0)
?
- / - / -
0
52
S35F1_HUMAN
0
35%
0.251
PF00171
1 -
(0)
?
- / - / -
0
53
S29A4_HUMAN
0
30%
0.175
PF07690
4 -
(0)
?
- / - / -
0
54
CTL5_HUMAN
0
29%
0.170
PF06100
2 -
(0)
?
- / - / -
0
55
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
56
ZNT2_HUMAN
6
25%
0.252
PF01545
0 -
(0)
?
- / - / -
0
57
TPC_HUMAN
12
41%
0.176
PF00153
19 -
(0)
?
- / - / -
0
58
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
59
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
60
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
61
SO1B7_HUMAN
7
17%
0.213
PF07690
2 -
(0)
?
- / - / -
0
62
S46A3_HUMAN
11
26%
0.192
PF07690
3 -
(0)
?
- / - / -
0
63
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
64
NCKX1_HUMAN
7
39%
0.168
PF01699
12 -
(0)
?
- / - / -
0
65
CTL3_HUMAN
0
37%
0.152
PF06623
5 -
(0)
?
- / - / -
0
66
RSCA1_HUMAN
2
31%
0.580
PF00627
0 -
(0)
?
- / - / -
0
67
S2535_HUMAN
8
36%
0.173
PF00153
18 -
(0)
?
- / - / -
0
68
S17A9_HUMAN
9
30%
0.264
PF07690
7 -
(0)
?
- / - / -
0
69
NTCP4_HUMAN
0
35%
0.227
PF07654
1 -
(0)
?
- / - / -
0
70
SPX3_HUMAN
12
28%
0.305
PF07690
2 -
(0)
?
- / - / -
0
71
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
72
S15A3_HUMAN
6
31%
0.360
PF07690
17 -
(0)
?
- / - / -
0
73
S2545_HUMAN
10
30%
0.128
PF00153
15 -
(0)
?
- / - / -
0
74
SCMC3_HUMAN
11
50%
0.633
PF13499
7 -
(0)
?
- / - / -
0
75
S36A3_HUMAN
4
31%
0.323
PF13520
4 -
(0)
?
- / - / -
0
76
S2611_HUMAN
13
31%
0.408
PF01740
6 -
(0)
?
- / - / -
0
77
SCMC2_HUMAN
6
64%
0.608
PF13499
7 -
(0)
?
- / - / -
0
78
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
79
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
80
CTL4_HUMAN
0
31%
0.185
PF07992
1 -
(1)
?
- / - / -
0
81
NRAM2_HUMAN
7
38%
0.292
PF13520
2 -
(0)
?
- / - / -
0
82
S26A8_HUMAN
9
37%
0.333
PF01740
1 -
(0)
?
- / - / -
0
83
YLAT2_HUMAN
5
26%
0.286
PF13520
5 -
(0)
?
- / - / -
0
84
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
85
S39AC_HUMAN
0
35%
0.292
PF00061
6 -
(0)
?
- / - / -
0
86
CTR3_HUMAN
4
31%
0.311
PF13520
12 -
(0)
?
- / - / -
0
87
S45A4_HUMAN
10
23%
0.113
PF07690
2 -
(0)
?
- / - / -
0
88
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
89
MOT11_HUMAN
12
29%
0.187
PF07690
1 -
(0)
?
- / - / -
0
90
S26A2_HUMAN
13
34%
0.384
PF01740
4 -
(0)
?
- / - / -
0
91
SC5A5_HUMAN
7
25%
0.276
PF00474
3 -
(0)
?
- / - / -
0
92
SC5A6_HUMAN
5
35%
0.355
PF00274
8 -
(0)
?
- / - / -
0
93
S35A3_HUMAN
1
31%
0.294
PF01044
1 -
(0)
?
- / - / -
0
94
S26A4_HUMAN
8
36%
0.519
PF01740
3 -
(0)
?
- / - / -
0
95
S35C2_HUMAN
1
32%
0.254
PF03247
1 -
(0)
?
- / - / -
0
96
S22A2_HUMAN
12
36%
0.286
PF00083
12 -
(0)
?
- / - / -
0
97
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
98
S39A1_HUMAN
0
41%
0.371
PF02525
14 -
(12)
?
- / - / -
0
99
S22A3_HUMAN
6
52%
0.248
PF00083
12 -
(0)
?
- / - / -
0
100
S22AD_HUMAN
5
50%
0.298
PF07690
15 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
/ 8
>>
- Show
50
100
250
500
All