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]
200
O11H4_HUMAN
9
32%
0.206
PF00001
47 -
(0)
?
- / - / -
0
201
OR9G1_HUMAN
4
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
202
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
203
GRPR_HUMAN
20
36%
0.216
PF00001
39 -
(0)
?
- / - / -
0
204
CLTR2_HUMAN
20
31%
0.322
PF00001
49 -
(0)
?
- / - / -
0
205
AGRE1_HUMAN
6
44%
0.410
PF00084
6 -
(0)
?
- / - / -
0
206
OR1A1_HUMAN
5
33%
0.215
PF00001
58 -
(0)
?
- / - / -
0
207
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
208
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
209
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
210
OR7G1_HUMAN
5
38%
0.205
PF00001
46 -
(0)
?
- / - / -
0
211
O10H3_HUMAN
12
32%
0.322
PF00001
48 -
(0)
?
- / - / -
0
212
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
213
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
214
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
215
P2RY2_HUMAN
20
39%
0.256
PF00001
58 -
(0)
?
- / - / -
0
216
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
217
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
218
AGRL4_HUMAN
8
34%
0.269
PF00001
11 -
(0)
?
- / - / -
0
219
HRH4_HUMAN
20
50%
0.245
PF00001
49 -
(0)
?
- / - / -
0
220
O13C4_HUMAN
6
59%
0.302
PF00001
32 -
(0)
?
- / - / -
0
221
OR1F2_HUMAN
7
29%
0.302
PF00001
34 -
(0)
?
- / - / -
0
222
O10W1_HUMAN
7
22%
0.222
PF00001
17 -
(0)
?
- / - / -
0
223
TAAR3_HUMAN
20
50%
0.301
PF00001
74 -
(0)
?
- / - / -
0
224
GP119_HUMAN
20
38%
0.438
PF00001
123 -
(0)
?
- / - / -
0
225
O10K1_HUMAN
7
36%
0.291
PF00001
34 -
(0)
?
- / - / -
0
226
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
227
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
228
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
229
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
230
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
231
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
232
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
233
O10A4_HUMAN
6
27%
0.321
PF00001
70 -
(0)
?
- / - / -
0
234
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
235
O52B6_HUMAN
4
34%
0.278
PF00001
81 -
(0)
?
- / - / -
0
236
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
237
O10Z1_HUMAN
9
59%
0.265
PF00001
40 -
(0)
?
- / - / -
0
238
O10H4_HUMAN
13
32%
0.323
PF00001
36 -
(0)
?
- / - / -
0
239
OR9A1_HUMAN
11
41%
0.163
PF00001
54 -
(0)
?
- / - / -
0
240
O10A3_HUMAN
6
27%
0.271
PF00001
34 -
(0)
?
- / - / -
0
241
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
242
O6C76_HUMAN
4
47%
0.252
PF00001
30 -
(0)
?
- / - / -
0
243
O51J1_HUMAN
11
40%
0.171
PF00959
16 -
(0)
?
- / - / -
0
244
OR4A4_HUMAN
6
46%
0.243
PF10413
28 -
(0)
?
- / - / -
0
245
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
246
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
247
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
248
CD97_HUMAN
18
85%
0.367
PF00084
1 -
(0)
?
- / - / -
0
249
TSHR_HUMAN
7
25%
0.239
PF10413
43 -
(0)
?
- / - / -
0
250
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
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