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
NRAM1_HUMAN
6
35%
0.286
PF07885
1 -
(0)
?
- / - / -
0
101
NRAM2_HUMAN
7
38%
0.292
PF13520
2 -
(0)
?
- / - / -
0
102
NTCP2_HUMAN
5
33%
0.224
PF01030
15 -
(0)
?
- / - / -
0
103
NTCP4_HUMAN
0
35%
0.227
PF07654
1 -
(0)
?
- / - / -
0
104
NTCP5_HUMAN
4
28%
0.327
PF06965
13 -
(0)
?
- / - / -
0
105
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
106
NTCP_HUMAN
5
40%
0.227
PF06965
11 -
(0)
?
- / - / -
0
107
ODC_HUMAN
8
36%
0.147
PF00153
23 -
(0)
?
- / - / -
0
108
ORNT1_HUMAN
6
35%
0.069
PF00153
19 -
(0)
?
- / - / -
0
109
ORNT2_HUMAN
6
61%
0.201
PF00153
19 -
(0)
?
- / - / -
0
110
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
111
OSTA_HUMAN
0
15%
0.082
PF01036
7 -
(0)
?
- / - / -
0
112
OSTB_HUMAN
0
52%
0.275
PF01193
2 -
(0)
?
- / - / -
0
113
P3_HUMAN
5
29%
0.297
PF06965
11 -
(0)
?
- / - / -
0
114
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
115
PM34_HUMAN
7
36%
0.285
PF00153
21 -
(0)
?
- / - / -
0
116
RSCA1_HUMAN
2
31%
0.580
PF00627
0 -
(0)
?
- / - / -
0
117
S12A1_HUMAN
7
33%
0.336
PF13520
4 -
(0)
?
- / - / -
0
118
S12A2_HUMAN
7
34%
0.366
PF13520
4 -
(0)
?
- / - / -
0
119
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
120
S12A4_HUMAN
5
30%
0.318
PF01168
8 -
(8)
?
- / - / -
0
121
S12A5_HUMAN
3
28%
0.309
PF13520
5 -
(0)
?
- / - / -
0
122
S12A6_HUMAN
6
27%
0.348
PF13520
5 -
(0)
?
- / - / -
0
123
S12A7_HUMAN
2
17%
0.475
PF00582
5 -
(0)
?
- / - / -
0
124
S12A8_HUMAN
6
26%
0.376
PF13520
4 -
(0)
?
- / - / -
0
125
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
126
S13A1_HUMAN
1
27%
0.205
PF00283
0 -
(0)
?
- / - / -
0
127
S13A2_HUMAN
1
38%
0.072
PF00293
2 -
(0)
?
- / - / -
0
128
S13A3_HUMAN
1
36%
0.188
PF02774
2 -
(0)
?
- / - / -
0
129
S13A4_HUMAN
1
34%
0.195
PF01177
2 -
(0)
?
- / - / -
0
130
S13A5_HUMAN
1
35%
0.114
PF00584
0 -
(0)
?
- / - / -
0
131
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
132
S15A2_HUMAN
15
30%
0.242
PF07690
24 -
(0)
?
- / - / -
0
133
S15A3_HUMAN
6
31%
0.360
PF07690
17 -
(0)
?
- / - / -
0
134
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
135
S15A5_HUMAN
10
22%
0.230
PF07690
6 -
(0)
?
- / - / -
0
136
S17A4_HUMAN
9
32%
0.250
PF07690
3 -
(0)
?
- / - / -
0
137
S17A5_HUMAN
10
32%
0.150
PF07690
4 -
(0)
?
- / - / -
0
138
S17A9_HUMAN
9
30%
0.264
PF07690
7 -
(0)
?
- / - / -
0
139
S18B1_HUMAN
13
39%
0.284
PF07690
4 -
(0)
?
- / - / -
0
140
S19A1_HUMAN
9
25%
0.217
PF07690
2 -
(0)
?
- / - / -
0
141
S19A2_HUMAN
10
25%
0.258
PF07690
4 -
(0)
?
- / - / -
0
142
S19A3_HUMAN
5
32%
0.230
PF07690
3 -
(0)
?
- / - / -
0
143
S20A1_HUMAN
0
34%
0.275
PF00737
0 -
(0)
?
- / - / -
0
144
S20A2_HUMAN
0
37%
0.110
PF02055
6 -
(0)
?
- / - / -
0
145
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
146
S22A2_HUMAN
12
36%
0.286
PF00083
12 -
(0)
?
- / - / -
0
147
S22A3_HUMAN
6
52%
0.248
PF00083
12 -
(0)
?
- / - / -
0
148
S22A4_HUMAN
3
43%
0.205
PF07690
11 -
(0)
?
- / - / -
0
149
S22A5_HUMAN
1
43%
0.213
PF07690
14 -
(0)
?
- / - / -
0
150
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
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