Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)
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
Y01 - [nb=81] --> CHOLESTEROL HEMISUCCINATE
GLU - [nb=49] --> GLUTAMIC ACID
CHAIN - [nb=31] --> Distinctin chain B
2CV - [nb=30] --> HEGA-10
SOG - [nb=24] --> .....AHYDRO-PYRAN-3,4,5-TRIOL)
Z99 - [nb=22] --> .....H-XANTHEN-9-YL)-D-ALANINE
52Q - [nb=22] --> .....ane-2,6-dicarboxylic acid
D10 - [nb=17] --> DECANE
OLC - [nb=16] --> .....PYL (9Z)-OCTADEC-9-ENOATE
C5A - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
C5B - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
52A - [nb=15] --> .....INE-2,4-DICARBOXYLIC ACID
40H - [nb=13] --> .....ne]-4,6-dicarboxylic acid
2CG - [nb=13] --> .....ANE-1,2-DICARBOXYLIC ACID
NAG - [nb=12] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGL - [nb=12] --> GAMMA-L-GLUTAMIC ACID
CLR - [nb=12] --> CHOLESTEROL
STE - [nb=10] --> STEARIC ACID
OLA - [nb=7] --> OLEIC ACID
0HK - [nb=6] --> .....cyclo[3.3.1.0~2,4~]nonane
OLB - [nb=6] --> .....PYL (9Z)-OCTADEC-9-ENOATE
HTO - [nb=6] --> HEPTANE-1,2,3-TRIOL
40F - [nb=5] --> .....ane-2,6-dicarboxylic acid
ML5 - [nb=5] --> .....-OXOBUTYL}PHOSPHONIC ACID
0NN - [nb=4] --> .....-YL)PROPYL]-D-PROLINAMIDE
MRV - [nb=4] --> .....YL]CYCLOHEXANECARBOXAMIDE
RAA - [nb=4] --> SUGAR (ALPHA-RHAMNOSE)
3C0 - [nb=4] --> N-methyl scopolamine
PGW - [nb=3] --> .....HYL (9Z)-OCTADEC-9-ENOATE
MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID
QNB - [nb=3] --> ..... HYDROXY(DIPHENYL)ACETATE
ITD - [nb=2] --> .....LOHEXYLIMIDOTHIOCARBAMATE
2ID - [nb=2] --> .....thyl dihydrogen phosphate
BNG - [nb=2] --> SUGAR (B-NONYLGLUCOSIDE)
RAM - [nb=2] --> SUGAR (ALPHA-L-RHAMNOSE)
4VO - [nb=2] --> .....naphtho[2,1-g]indol-10-ol
3N6 - [nb=2] --> .....]CARBONYL}-D-TYROSINAMIDE
MCG - [nb=2] --> .....YL-4-CARBOXYPHENYLGLYCINE
1Q5 - [nb=2] --> .....YLPHENOXY)PYRIDIN-4-AMINE
2BQ - [nb=1] --> 2-HYDROXYSACLOFEN
2BX - [nb=1] --> .....ORPHOLIN-2-YL]ACETIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
2BY - [nb=1] --> PHACLOFEN
2C0 - [nb=1] --> BACLOFEN
2BV - [nb=1] --> .....OXYPROPYL]PHOSPHINIC ACID
4E6 - [nb=1] --> .....6E)-HEXADECA-1,4,6-TRIENE
ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID
N7R - [nb=1] --> .....)PIPERIDINE-1-CARBOXAMIDE
PLM - [nb=1] --> PALMITIC ACID
1KS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
381 - [nb=1] --> .....XYLMETHYL)PHOSPHINIC ACID
EJ4 - [nb=1] --> .....B]CARBAZOLE-1,8A(9H)-DIOL
5EH - [nb=1] --> .....,N-DIMETHYLPROPAN-1-AMINE
2BW - [nb=1] --> .....OXYMETHYL)PHOSPHINIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
150
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
151
O10G7_HUMAN
7
34%
0.269
PF00001
42 -
(0)
?
- / - / -
0
152
OR5B3_HUMAN
9
42%
0.369
PF00001
33 -
(0)
?
- / - / -
0
153
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
154
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
155
CNR1_HUMAN
20
95%
0.245
PF00001
84 -
(0)
?
- / - / -
0
156
T2R43_HUMAN
5
25%
0.272
PF00001
20 -
(0)
?
- / - / -
0
157
OR1N1_HUMAN
5
35%
0.260
PF00001
55 -
(0)
?
- / - / -
0
158
O52N5_HUMAN
12
34%
0.393
PF00001
35 -
(0)
?
- / - / -
0
159
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
160
ADA2A_HUMAN
20
42%
0.320
PF00001
136 -
(0)
?
- / - / -
0
161
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
162
O10Q1_HUMAN
9
32%
0.263
PF00001
25 -
(0)
?
- / - / -
0
163
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
164
OR5K2_HUMAN
13
48%
0.243
PF00001
34 -
(0)
?
- / - / -
0
165
O10G8_HUMAN
12
45%
0.217
PF00001
32 -
(0)
?
- / - / -
0
166
GPC5C_HUMAN
0
35%
0.079
PF02790
2 -
(0)
?
- / - / -
0
167
V2R_HUMAN
13
93%
0.307
PF10413
72 -
(0)
?
- / - / -
0
168
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
169
T2R38_HUMAN
11
28%
0.249
PF00001
18 -
(0)
?
- / - / -
0
170
PSYR_HUMAN
20
32%
0.265
PF00001
62 -
(0)
1
- / - / -
0
171
OR2D2_HUMAN
14
31%
0.293
PF00001
35 -
(0)
?
- / - / -
0
172
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
173
OR2W1_HUMAN
4
43%
0.269
PF10413
48 -
(0)
?
- / - / -
0
174
OR4E2_HUMAN
5
27%
0.251
PF10413
33 -
(0)
?
- / - / -
0
175
GP158_HUMAN
0
26%
0.146
PF00066
1 -
(0)
?
- / - / -
0
176
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
177
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
178
O52N1_HUMAN
11
26%
0.259
PF00001
40 -
(0)
?
- / - / -
0
179
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
180
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
181
P2RY6_HUMAN
20
38%
0.265
PF00001
65 -
(0)
?
- / - / -
0
182
OR4C3_HUMAN
2
52%
0.332
PF10413
41 -
(0)
?
- / - / -
0
183
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
184
PAR3_HUMAN
20
45%
0.234
PF00001
55 -
(0)
?
- / - / -
0
185
T2R40_HUMAN
11
37%
0.213
PF00001
14 -
(0)
?
- / - / -
0
186
OR8S1_HUMAN
11
39%
0.272
PF00001
29 -
(0)
?
- / - / -
0
187
NMUR1_HUMAN
20
39%
0.318
PF00001
60 -
(0)
3
- / - / -
0
188
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
189
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
190
VNRL4_HUMAN
11
35%
0.145
PF00001
8 -
(0)
?
- / - / -
0
191
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
192
QRFPR_HUMAN
20
31%
0.253
PF00001
45 -
(0)
?
- / - / -
0
193
O52N2_HUMAN
10
31%
0.241
PF00001
117 -
(0)
?
- / - / -
0
194
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
195
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
196
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
197
HCAR1_HUMAN
19
31%
0.159
PF00001
66 -
(0)
?
- / - / -
0
198
TA2R9_HUMAN
11
57%
0.272
PF12109
17 -
(0)
?
- / - / -
0
199
OR8K1_HUMAN
13
31%
0.300
PF00001
33 -
(0)
?
- / - / -
0
200
OR8D1_HUMAN
10
34%
0.134
PF00001
34 -
(0)
?
- / - / -
0
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