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
NCKX3_HUMAN
3
30%
0.206
PF01699
10 -
(0)
?
- / - / -
0
51
NPT2C_HUMAN
0
35%
0.165
PF07714
0 -
(0)
?
- / - / -
0
52
S2610_HUMAN
3
28%
0.405
PF01740
6 -
(0)
?
- / - / -
0
53
S38A8_HUMAN
3
23%
0.234
PF13520
3 -
(0)
?
- / - / -
0
54
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
55
NPT3_HUMAN
9
36%
0.211
PF07690
4 -
(0)
?
- / - / -
0
56
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
57
S45A2_HUMAN
10
36%
0.238
PF07690
2 -
(0)
?
- / - / -
0
58
S23A1_HUMAN
2
30%
0.303
PF05371
8 -
(0)
?
- / - / -
0
59
SC6A6_HUMAN
20
47%
0.374
PF13520
60 -
(0)
1
- / - / -
0
60
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
61
S20A2_HUMAN
0
37%
0.110
PF02055
6 -
(0)
?
- / - / -
0
62
S13A3_HUMAN
1
36%
0.188
PF02774
2 -
(0)
?
- / - / -
0
63
SAMC_HUMAN
7
29%
0.169
PF00153
15 -
(0)
?
- / - / -
0
64
SL9C1_HUMAN
16
38%
0.397
PF00027
13 -
(0)
?
- / - / -
0
65
BWR1B_HUMAN
0
31%
0.217
PF02826
1 -
(0)
?
- / - / -
0
66
S39AE_HUMAN
0
31%
0.419
PF13499
8 -
(0)
?
- / - / -
0
67
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
68
S38A1_HUMAN
4
30%
0.408
PF13520
1 -
(0)
?
- / - / -
0
69
NAC3_HUMAN
20
97%
0.456
PF01699
4 -
(0)
1
- / - / -
0
70
S22A5_HUMAN
1
43%
0.213
PF07690
14 -
(0)
?
- / - / -
0
71
S38AB_HUMAN
5
19%
0.206
PF13520
3 -
(0)
?
- / - / -
0
72
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
73
VGLU2_HUMAN
12
15%
0.197
PF07690
2 -
(0)
?
- / - / -
0
74
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
75
S26A6_HUMAN
10
36%
0.395
PF01867
14 -
(0)
?
- / - / -
0
76
ZNT4_HUMAN
6
33%
0.267
PF01545
2 -
(0)
?
- / - / -
0
77
VACHT_HUMAN
11
48%
0.261
PF07690
5 -
(0)
?
- / - / -
0
78
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
79
CTL2_HUMAN
0
41%
0.145
PF01027
3 -
(0)
?
- / - / -
0
80
SL9A9_HUMAN
4
64%
0.281
PF00999
6 -
(0)
?
- / - / -
0
81
S43A3_HUMAN
10
52%
0.252
PF00069
7 -
(0)
?
- / - / -
0
82
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
83
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
84
SO2B1_HUMAN
10
20%
0.223
PF07690
3 -
(0)
?
- / - / -
0
85
MOT14_HUMAN
11
32%
0.252
PF07690
2 -
(0)
?
- / - / -
0
86
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
87
S39AB_HUMAN
0
36%
0.021
PF10215
9 -
(0)
?
- / - / -
0
88
CTL4_HUMAN
0
31%
0.185
PF07992
1 -
(1)
?
- / - / -
0
89
SL9A3_HUMAN
5
84%
0.294
PF00999
5 -
(0)
?
- / - / -
0
90
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
91
MOT3_HUMAN
9
25%
0.252
PF01306
4 -
(0)
?
- / - / -
0
92
SC6A9_HUMAN
20
44%
0.440
PF13520
58 -
(0)
3
- / - / -
0
93
S39A8_HUMAN
0
34%
0.188
PF13499
4 -
(0)
?
- / - / -
0
94
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
95
NPT2A_HUMAN
0
41%
0.200
PF01741
1 -
(0)
?
- / - / -
0
96
SL9A2_HUMAN
5
91%
0.286
PF00999
3 -
(0)
?
- / - / -
0
97
ZNT3_HUMAN
6
45%
0.234
PF01545
2 -
(0)
?
- / - / -
0
98
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
99
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
100
S26A9_HUMAN
12
43%
0.238
PF01740
3 -
(0)
?
- / - / -
0
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