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]
350
O14A2_HUMAN
13
32%
0.230
PF00001
29 -
(0)
?
- / - / -
0
351
O14AG_HUMAN
4
33%
0.302
PF10413
44 -
(0)
?
- / - / -
0
352
O14CZ_HUMAN
13
28%
0.125
PF10413
34 -
(0)
?
- / - / -
0
353
O14I1_HUMAN
12
34%
0.352
PF10413
33 -
(0)
?
- / - / -
0
354
O14J1_HUMAN
5
32%
0.297
PF00001
37 -
(0)
?
- / - / -
0
355
O14K1_HUMAN
5
47%
0.284
PF00001
69 -
(0)
?
- / - / -
0
356
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
357
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
358
O2A14_HUMAN
7
33%
0.321
PF00001
62 -
(0)
?
- / - / -
0
359
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
360
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
361
O2AG1_HUMAN
3
44%
0.271
PF10413
31 -
(0)
?
- / - / -
0
362
O2AG2_HUMAN
5
42%
0.225
PF00001
42 -
(0)
?
- / - / -
0
363
O2AJ1_HUMAN
3
58%
0.254
PF00001
32 -
(0)
?
- / - / -
0
364
O2AK2_HUMAN
13
30%
0.170
PF00001
39 -
(0)
?
- / - / -
0
365
O2AP1_HUMAN
3
43%
0.335
PF00001
41 -
(0)
?
- / - / -
0
366
O2AT4_HUMAN
5
30%
0.338
PF00001
40 -
(0)
?
- / - / -
0
367
O2T10_HUMAN
3
33%
0.254
PF00001
94 -
(0)
?
- / - / -
0
368
O2T11_HUMAN
3
38%
0.356
PF00001
83 -
(0)
?
- / - / -
0
369
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
370
O2T27_HUMAN
6
31%
0.297
PF00001
40 -
(0)
?
- / - / -
0
371
O2T29_HUMAN
7
45%
0.214
PF00001
65 -
(0)
?
- / - / -
0
372
O2T33_HUMAN
6
27%
0.274
PF00001
41 -
(0)
?
- / - / -
0
373
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
374
O2T35_HUMAN
4
37%
0.242
PF10413
29 -
(0)
?
- / - / -
0
375
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
376
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
377
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
378
O4C45_HUMAN
11
40%
0.289
PF00001
24 -
(0)
?
- / - / -
0
379
O4C46_HUMAN
13
29%
0.247
PF00001
18 -
(0)
?
- / - / -
0
380
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
381
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
382
O4F21_HUMAN
4
50%
0.174
PF10413
24 -
(0)
?
- / - / -
0
383
O51A2_HUMAN
7
33%
0.269
PF00001
41 -
(0)
?
- / - / -
0
384
O51A4_HUMAN
13
32%
0.289
PF00001
32 -
(0)
?
- / - / -
0
385
O51A7_HUMAN
6
30%
0.263
PF00001
100 -
(0)
?
- / - / -
0
386
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
387
O51B4_HUMAN
13
37%
0.277
PF00001
50 -
(0)
?
- / - / -
0
388
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
389
O51B6_HUMAN
4
43%
0.236
PF00001
50 -
(0)
?
- / - / -
0
390
O51D1_HUMAN
13
29%
0.191
PF00001
40 -
(0)
?
- / - / -
0
391
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
392
O51E2_HUMAN
7
33%
0.210
PF00001
58 -
(0)
?
- / - / -
0
393
O51F1_HUMAN
13
32%
0.255
PF00001
51 -
(0)
?
- / - / -
0
394
O51F2_HUMAN
6
26%
0.199
PF00001
44 -
(0)
?
- / - / -
0
395
O51G1_HUMAN
4
33%
0.241
PF10413
48 -
(0)
?
- / - / -
0
396
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
397
O51H1_HUMAN
12
45%
0.164
PF00001
42 -
(0)
?
- / - / -
0
398
O51I1_HUMAN
12
43%
0.215
PF00001
53 -
(0)
?
- / - / -
0
399
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
400
O51J1_HUMAN
11
40%
0.171
PF00959
16 -
(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