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]
250
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
251
OR8J2_HUMAN
13
30%
0.342
PF00001
34 -
(0)
?
- / - / -
0
252
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
253
OR2T1_HUMAN
13
63%
0.307
PF00001
35 -
(0)
?
- / - / -
0
254
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
255
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
256
O6C75_HUMAN
5
37%
0.296
PF00001
32 -
(0)
?
- / - / -
0
257
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
258
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
259
SSR2_HUMAN
23
44%
0.317
PF00001
203 -
(0)
4
- / - / -
0
260
QRFPR_HUMAN
20
31%
0.253
PF00001
45 -
(0)
?
- / - / -
0
261
SSR4_HUMAN
20
47%
0.414
PF00001
C6_S1
223 -
(0)
5
- / - /
4
0
262
AGRL3_HUMAN
23
100%
0.534
PF02140
C2_S1
13 -
(0)
1
1
/ - /
3
0
263
OR4C5_HUMAN
13
19%
0.270
PF00001
13 -
(0)
?
- / - / -
0
264
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
265
OR5DE_HUMAN
13
52%
0.293
PF00001
36 -
(0)
?
- / - / -
0
266
HRH3_HUMAN
20
40%
0.257
PF00001
C1_S1
59 -
(0)
2
- / - /
2
0
267
OPN3_HUMAN
20
32%
0.282
PF10413
80 -
(0)
1
- / - / -
0
268
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
269
5HT4R_HUMAN
24
40%
0.325
PF00001
C4_S1
263 -
(0)
4
- / - /
4
0
270
O2AT4_HUMAN
5
30%
0.338
PF00001
40 -
(0)
?
- / - / -
0
271
P2RY6_HUMAN
20
38%
0.265
PF00001
65 -
(0)
?
- / - / -
0
272
OR2A2_HUMAN
6
39%
0.255
PF00001
45 -
(0)
?
- / - / -
0
273
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
274
PSYR_HUMAN
20
32%
0.265
PF00001
62 -
(0)
1
- / - / -
0
275
OR2W3_HUMAN
3
25%
0.238
PF10413
59 -
(0)
?
- / - / -
0
276
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
277
OR1L4_HUMAN
5
34%
0.222
PF00001
84 -
(0)
?
- / - / -
0
278
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
279
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
280
NPY2R_HUMAN
20
38%
0.347
PF00001
82 -
(0)
1
- / - / -
0
281
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
282
CLTR1_HUMAN
20
35%
0.277
PF00001
54 -
(0)
?
- / - / -
0
283
OR1P1_HUMAN
6
39%
0.302
PF00001
69 -
(0)
?
- / - / -
0
284
OR6C6_HUMAN
1
32%
0.290
PF10413
22 -
(0)
?
- / - / -
0
285
GPR27_HUMAN
7
32%
0.210
PF10413
80 -
(0)
?
- / - / -
0
286
OR6M1_HUMAN
6
30%
0.304
PF00001
39 -
(0)
?
- / - / -
0
287
GP126_HUMAN
7
33%
0.408
PF00089
4 -
(0)
?
- / - / -
0
288
OR1J1_HUMAN
6
37%
0.222
PF00001
46 -
(0)
?
- / - / -
0
289
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
290
TA2R4_HUMAN
11
28%
0.165
PF00001
10 -
(0)
?
- / - / -
0
291
OR1F2_HUMAN
7
29%
0.302
PF00001
34 -
(0)
?
- / - / -
0
292
O56A4_HUMAN
9
50%
0.258
PF00001
35 -
(0)
?
- / - / -
0
293
OR1A2_HUMAN
6
31%
0.259
PF00001
51 -
(0)
?
- / - / -
0
294
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
295
OR7G2_HUMAN
5
32%
0.314
PF00001
46 -
(0)
?
- / - / -
0
296
OPSX_HUMAN
20
47%
0.301
PF10413
70 -
(0)
?
- / - / -
0
297
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
298
VNRL4_HUMAN
11
35%
0.145
PF00001
8 -
(0)
?
- / - / -
0
299
DRD3_HUMAN
12
100%
0.299
PF00001
126 -
(0)
?
- / - / -
0
300
OR9G1_HUMAN
4
38%
0.199
PF00001
47 -
(0)
?
- / - / -
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