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]
300
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
301
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
302
O10V1_HUMAN
2
54%
0.251
PF00001
38 -
(0)
?
- / - / -
0
303
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
304
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
305
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
306
O13A1_HUMAN
11
38%
0.289
PF00001
43 -
(0)
?
- / - / -
0
307
O56B2_HUMAN
13
50%
0.262
PF00001
53 -
(0)
?
- / - / -
0
308
O14I1_HUMAN
12
34%
0.352
PF10413
33 -
(0)
?
- / - / -
0
309
OR1L4_HUMAN
5
34%
0.222
PF00001
84 -
(0)
?
- / - / -
0
310
O52N4_HUMAN
8
33%
0.157
PF00001
32 -
(0)
?
- / - / -
0
311
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
312
T2R39_HUMAN
11
27%
0.326
PF00001
20 -
(0)
?
- / - / -
0
313
OR4KD_HUMAN
2
33%
0.292
PF10413
55 -
(0)
?
- / - / -
0
314
V2R_HUMAN
13
93%
0.307
PF10413
72 -
(0)
?
- / - / -
0
315
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
316
OR8J2_HUMAN
13
30%
0.342
PF00001
34 -
(0)
?
- / - / -
0
317
ADA2B_HUMAN
20
53%
0.368
PF00001
114 -
(0)
?
- / - / -
0
318
FZD6_HUMAN
20
39%
0.290
PF01392
20 -
(0)
?
- / - / -
0
319
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
320
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
321
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
322
CCR6_HUMAN
20
45%
0.235
PF00001
57 -
(0)
?
- / - / -
0
323
TA2R9_HUMAN
11
57%
0.272
PF12109
17 -
(0)
?
- / - / -
0
324
OR1E1_HUMAN
5
27%
0.344
PF00001
40 -
(0)
?
- / - / -
0
325
OR2A5_HUMAN
7
36%
0.313
PF00001
48 -
(0)
?
- / - / -
0
326
OR1A1_HUMAN
5
33%
0.215
PF00001
58 -
(0)
?
- / - / -
0
327
OPSX_HUMAN
20
47%
0.301
PF10413
70 -
(0)
?
- / - / -
0
328
O51A4_HUMAN
13
32%
0.289
PF00001
32 -
(0)
?
- / - / -
0
329
OR2V1_HUMAN
7
31%
0.255
PF00001
33 -
(0)
?
- / - / -
0
330
VN1R3_HUMAN
11
24%
0.141
PF00001
12 -
(0)
?
- / - / -
0
331
OR4N4_HUMAN
12
36%
0.301
PF10413
36 -
(0)
?
- / - / -
0
332
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
333
PAR1_HUMAN
20
35%
0.203
PF00001
49 -
(0)
?
- / - / -
0
334
O10W1_HUMAN
7
22%
0.222
PF00001
17 -
(0)
?
- / - / -
0
335
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
336
ADA2C_HUMAN
20
42%
0.239
PF00001
97 -
(0)
?
- / - / -
0
337
OR9K2_HUMAN
13
36%
0.371
PF00001
39 -
(0)
?
- / - / -
0
338
AGRD2_HUMAN
8
29%
0.417
PF07952
12 -
(0)
?
- / - / -
0
339
O13C6_HUMAN
8
29%
0.209
PF00001
22 -
(0)
?
- / - / -
0
340
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
341
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
342
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
343
OR7A5_HUMAN
10
31%
0.298
PF00001
43 -
(0)
?
- / - / -
0
344
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
345
GP179_HUMAN
1
38%
0.509
PF00001
8 -
(0)
?
- / - / -
0
346
O52E2_HUMAN
11
31%
0.270
PF00001
37 -
(0)
?
- / - / -
0
347
PE2R2_HUMAN
13
29%
0.386
PF00001
85 -
(0)
?
- / - / -
0
348
OR5C1_HUMAN
13
31%
0.302
PF00001
24 -
(0)
?
- / - / -
0
349
OR3A1_HUMAN
11
30%
0.264
PF00001
48 -
(0)
?
- / - / -
0
350
NPY1R_HUMAN
19
31%
0.207
PF10413
41 -
(0)
2
- / - / -
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