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]
100
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
101
S41A1_HUMAN
2
40%
0.324
PF03448
3 -
(0)
?
- / - / -
0
102
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
103
S52A2_HUMAN
0
36%
0.265
PF10584
0 -
(0)
?
- / - / -
0
104
MFSD5_HUMAN
11
31%
0.273
PF07690
2 -
(0)
?
- / - / -
0
105
PM34_HUMAN
7
36%
0.285
PF00153
21 -
(0)
?
- / - / -
0
106
S20A2_HUMAN
0
37%
0.110
PF02055
6 -
(0)
?
- / - / -
0
107
SO1A2_HUMAN
9
16%
0.070
PF07690
2 -
(0)
?
- / - / -
0
108
SO1B7_HUMAN
7
17%
0.213
PF07690
2 -
(0)
?
- / - / -
0
109
S19A2_HUMAN
10
25%
0.258
PF07690
4 -
(0)
?
- / - / -
0
110
SO4A1_HUMAN
8
16%
0.061
PF07690
2 -
(0)
?
- / - / -
0
111
S19A1_HUMAN
9
25%
0.217
PF07690
2 -
(0)
?
- / - / -
0
112
NPT3_HUMAN
9
36%
0.211
PF07690
4 -
(0)
?
- / - / -
0
113
COPT2_HUMAN
0
57%
-0.025
PF02274
5 -
(0)
?
- / - / -
0
114
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
115
S13A3_HUMAN
1
36%
0.188
PF02774
2 -
(0)
?
- / - / -
0
116
MOT5_HUMAN
11
29%
0.288
PF07690
6 -
(0)
?
- / - / -
0
117
S35A2_HUMAN
0
34%
0.064
PF03742
4 -
(0)
?
- / - / -
0
118
S22A4_HUMAN
3
43%
0.205
PF07690
11 -
(0)
?
- / - / -
0
119
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
120
YLAT1_HUMAN
5
25%
0.327
PF13520
5 -
(0)
?
- / - / -
0
121
S22AI_HUMAN
11
27%
0.292
PF07690
3 -
(0)
?
- / - / -
0
122
TSCOT_HUMAN
10
29%
0.085
PF07690
3 -
(0)
?
- / - / -
0
123
SCMC3_HUMAN
11
50%
0.633
PF13499
7 -
(0)
?
- / - / -
0
124
S47A2_HUMAN
5
26%
0.104
PF00556
17 -
(0)
?
- / - / -
0
125
S28A1_HUMAN
10
43%
0.389
PF01568
12 -
(0)
?
- / - / -
0
126
S39A8_HUMAN
0
34%
0.188
PF13499
4 -
(0)
?
- / - / -
0
127
S38AB_HUMAN
5
19%
0.206
PF13520
3 -
(0)
?
- / - / -
0
128
S35E2_HUMAN
0
34%
0.235
PF03357
0 -
(0)
?
- / - / -
0
129
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
130
AAA1_HUMAN
5
25%
0.289
PF13520
4 -
(0)
?
- / - / -
0
131
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
132
S35B2_HUMAN
0
21%
0.223
PF12884
0 -
(0)
?
- / - / -
0
133
LAT2_HUMAN
6
26%
0.366
PF13520
4 -
(0)
?
- / - / -
0
134
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
135
S40A1_HUMAN
10
25%
0.299
PF07690
4 -
(0)
?
- / - / -
0
136
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
137
S45A4_HUMAN
10
23%
0.113
PF07690
2 -
(0)
?
- / - / -
0
138
S6A16_HUMAN
17
33%
0.322
PF13520
63 -
(0)
?
- / - / -
0
139
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
140
SO1B3_HUMAN
9
25%
0.266
PF07690
3 -
(0)
?
- / - / -
0
141
MOT2_HUMAN
11
33%
0.282
PF07690
22 -
(0)
?
- / - / -
0
142
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
143
S27A5_HUMAN
20
26%
0.477
PF13193
51 -
(21)
?
- / - / -
0
144
S39AD_HUMAN
0
33%
-0.002
PF00106
12 -
(0)
?
- / - / -
0
145
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
146
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
147
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
148
S38A6_HUMAN
4
30%
0.253
PF00584
1 -
(0)
?
- / - / -
0
149
SOAT_HUMAN
5
34%
0.261
PF03936
117 -
(0)
?
- / - / -
0
150
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
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