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
OR2M7_HUMAN
4
29%
0.330
PF00001
42 -
(0)
?
- / - / -
0
351
OR5H2_HUMAN
13
57%
0.345
PF10413
24 -
(0)
?
- / - / -
0
352
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
353
OR2G2_HUMAN
11
47%
0.247
PF00001
31 -
(0)
?
- / - / -
0
354
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
355
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
356
O51D1_HUMAN
13
29%
0.191
PF00001
40 -
(0)
?
- / - / -
0
357
OR4N4_HUMAN
12
36%
0.301
PF10413
36 -
(0)
?
- / - / -
0
358
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
359
CALRL_HUMAN
8
40%
0.258
PF00001
C2_S1
19 -
(0)
2
- / - /
1
0
360
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
361
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
362
GP158_HUMAN
0
26%
0.146
PF00066
1 -
(0)
?
- / - / -
0
363
CCR6_HUMAN
20
45%
0.235
PF00001
57 -
(0)
?
- / - / -
0
364
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
365
O10A6_HUMAN
5
27%
0.340
PF00001
39 -
(0)
?
- / - / -
0
366
SSR2_HUMAN
23
44%
0.317
PF00001
203 -
(0)
4
- / - / -
0
367
5HT2A_HUMAN
30
57%
0.356
PF00001
C6_S1
185 -
(0)
7
- / - /
6
0
368
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
369
OR4K5_HUMAN
6
31%
0.230
PF00001
50 -
(0)
?
- / - / -
0
370
OR6K2_HUMAN
9
46%
0.215
PF00001
34 -
(0)
?
- / - / -
0
371
KISSR_HUMAN
20
36%
0.289
PF00001
42 -
(0)
?
- / - / -
0
372
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
373
O11H6_HUMAN
9
20%
0.283
PF00001
13 -
(0)
?
- / - / -
0
374
AA3R_HUMAN
20
43%
0.351
PF00001
C2_S1
71 -
(0)
1
- / - /
1
0
375
OR4E1_HUMAN
11
31%
0.266
PF00001
34 -
(0)
?
- / - / -
0
376
OR1E2_HUMAN
6
28%
0.332
PF00001
77 -
(0)
?
- / - / -
0
377
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
378
ADA2A_HUMAN
20
42%
0.320
PF00001
136 -
(0)
?
- / - / -
0
379
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
380
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
381
O10Z1_HUMAN
9
59%
0.265
PF00001
40 -
(0)
?
- / - / -
0
382
T2R46_HUMAN
7
33%
0.277
PF00001
21 -
(0)
?
- / - / -
0
383
OR5I1_HUMAN
12
40%
0.241
PF00001
38 -
(0)
?
- / - / -
0
384
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
385
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
386
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
387
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
388
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
389
T2R20_HUMAN
11
22%
0.286
PF00001
14 -
(0)
?
- / - / -
0
390
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
391
AGRA1_HUMAN
11
28%
0.068
PF00001
14 -
(0)
?
- / - / -
0
392
TAAR8_HUMAN
20
32%
0.347
PF00001
180 -
(0)
?
- / - / -
0
393
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
394
OR1M1_HUMAN
4
35%
0.298
PF00001
39 -
(0)
?
- / - / -
0
395
OR8J1_HUMAN
13
30%
0.266
PF00001
35 -
(0)
?
- / - / -
0
396
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
397
OR2W1_HUMAN
4
43%
0.269
PF10413
48 -
(0)
?
- / - / -
0
398
O51H1_HUMAN
12
45%
0.164
PF00001
42 -
(0)
?
- / - / -
0
399
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
400
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
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