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
OR6J1_HUMAN
12
31%
0.264
PF00001
43 -
(0)
?
- / - / -
0
151
GP173_HUMAN
7
32%
0.229
PF00001
102 -
(0)
?
- / - / -
0
152
OR4D6_HUMAN
6
31%
0.257
PF00001
39 -
(0)
?
- / - / -
0
153
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
154
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
155
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
156
O10P1_HUMAN
6
76%
0.349
PF00001
28 -
(0)
?
- / - / -
0
157
OR2L2_HUMAN
3
44%
0.251
PF10413
41 -
(0)
?
- / - / -
0
158
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
159
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
160
T2R14_HUMAN
11
30%
0.194
PF00001
13 -
(0)
?
- / - / -
0
161
GPR37_HUMAN
11
30%
0.194
PF00001
32 -
(0)
?
- / - / -
0
162
OR1G1_HUMAN
7
30%
0.239
PF00001
35 -
(0)
?
- / - / -
0
163
O6C75_HUMAN
5
37%
0.296
PF00001
32 -
(0)
?
- / - / -
0
164
FPR2_HUMAN
20
35%
0.227
PF00001
58 -
(0)
?
- / - / -
0
165
OR2T8_HUMAN
6
28%
0.253
PF00001
40 -
(0)
?
- / - / -
0
166
OR5H6_HUMAN
11
38%
0.315
PF00001
31 -
(0)
?
- / - / -
0
167
OR2G3_HUMAN
3
38%
0.316
PF10413
68 -
(0)
?
- / - / -
0
168
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
169
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
170
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
171
OR1A1_HUMAN
5
33%
0.215
PF00001
58 -
(0)
?
- / - / -
0
172
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
173
O13C5_HUMAN
2
45%
0.187
PF10413
44 -
(0)
?
- / - / -
0
174
OR4K1_HUMAN
8
32%
0.252
PF00001
57 -
(0)
?
- / - / -
0
175
GPR39_HUMAN
19
38%
0.291
PF10413
27 -
(0)
?
- / - / -
0
176
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
177
OR5A2_HUMAN
13
33%
0.313
PF00001
20 -
(0)
?
- / - / -
0
178
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
179
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
180
O56A4_HUMAN
9
50%
0.258
PF00001
35 -
(0)
?
- / - / -
0
181
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
182
ACKR1_HUMAN
9
37%
0.170
PF00001
14 -
(0)
?
- / - / -
0
183
OR2W1_HUMAN
4
43%
0.269
PF10413
48 -
(0)
?
- / - / -
0
184
OR5K3_HUMAN
9
37%
0.311
PF00001
48 -
(0)
?
- / - / -
0
185
GP179_HUMAN
1
38%
0.509
PF00001
8 -
(0)
?
- / - / -
0
186
OPN5_HUMAN
20
35%
0.177
PF10413
117 -
(0)
?
- / - / -
0
187
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
188
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
189
OR5M8_HUMAN
8
40%
0.249
PF00001
36 -
(0)
?
- / - / -
0
190
OR2J1_HUMAN
6
28%
0.299
PF00001
41 -
(0)
?
- / - / -
0
191
O10A7_HUMAN
7
28%
0.288
PF00001
32 -
(0)
?
- / - / -
0
192
O13H1_HUMAN
5
35%
0.285
PF00001
42 -
(0)
?
- / - / -
0
193
CML1_HUMAN
19
34%
0.209
PF00001
49 -
(0)
?
- / - / -
0
194
CLTR2_HUMAN
20
31%
0.322
PF00001
49 -
(0)
?
- / - / -
0
195
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
196
O13J1_HUMAN
9
44%
0.279
PF00001
41 -
(0)
?
- / - / -
0
197
GPR84_HUMAN
12
35%
0.315
PF00001
62 -
(0)
?
- / - / -
0
198
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
199
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
200
S1PR5_HUMAN
10
51%
0.395
PF00001
C4_S1
36 -
(0)
?
- / - /
1
0
<<
Page
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
/ 17
>>
- Show
50
100
250
500
All