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
OR1P1_HUMAN
6
39%
0.302
PF00001
69 -
(0)
?
- / - / -
0
351
O10J5_HUMAN
11
34%
0.191
PF00001
62 -
(0)
?
- / - / -
0
352
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
353
O10G7_HUMAN
7
34%
0.269
PF00001
42 -
(0)
?
- / - / -
0
354
HCAR2_HUMAN
19
34%
0.229
PF00001
72 -
(0)
?
- / - / -
0
355
O2T29_HUMAN
7
45%
0.214
PF00001
65 -
(0)
?
- / - / -
0
356
OR4DB_HUMAN
13
28%
0.252
PF00001
27 -
(0)
?
- / - / -
0
357
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
358
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
359
OR8A1_HUMAN
11
40%
0.345
PF00001
58 -
(0)
?
- / - / -
0
360
OR6K6_HUMAN
12
59%
0.328
PF00001
31 -
(0)
?
- / - / -
0
361
NMBR_HUMAN
20
37%
0.278
PF00001
63 -
(0)
?
- / - / -
0
362
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
363
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
364
NPBW1_HUMAN
20
39%
0.400
PF00001
71 -
(0)
?
- / - / -
0
365
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
366
O10K2_HUMAN
7
50%
0.326
PF00001
35 -
(0)
?
- / - / -
0
367
O7E24_HUMAN
12
29%
0.260
PF00001
35 -
(0)
?
- / - / -
0
368
O51A4_HUMAN
13
32%
0.289
PF00001
32 -
(0)
?
- / - / -
0
369
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
370
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
371
OR4B1_HUMAN
13
30%
0.201
PF00001
28 -
(0)
?
- / - / -
0
372
OR5H1_HUMAN
13
31%
0.315
PF00001
36 -
(0)
?
- / - / -
0
373
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
374
OR8J2_HUMAN
13
30%
0.342
PF00001
34 -
(0)
?
- / - / -
0
375
OR8J3_HUMAN
13
32%
0.288
PF00001
29 -
(0)
?
- / - / -
0
376
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
377
O51V1_HUMAN
12
39%
0.225
PF00001
40 -
(0)
?
- / - / -
0
378
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
379
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
380
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
381
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
382
O14J1_HUMAN
5
32%
0.297
PF00001
37 -
(0)
?
- / - / -
0
383
OR2D2_HUMAN
14
31%
0.293
PF00001
35 -
(0)
?
- / - / -
0
384
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
385
O11H4_HUMAN
9
32%
0.206
PF00001
47 -
(0)
?
- / - / -
0
386
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
387
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
388
OR2J2_HUMAN
7
36%
0.226
PF00001
35 -
(0)
?
- / - / -
0
389
OR7G3_HUMAN
8
36%
0.304
PF00001
47 -
(0)
?
- / - / -
0
390
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
391
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
392
OR5M9_HUMAN
7
33%
0.290
PF00001
42 -
(0)
?
- / - / -
0
393
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
394
QRFPR_HUMAN
20
31%
0.253
PF00001
45 -
(0)
?
- / - / -
0
395
GRPR_HUMAN
20
36%
0.216
PF00001
39 -
(0)
?
- / - / -
0
396
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
397
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
398
O52E8_HUMAN
2
41%
0.267
PF00001
74 -
(0)
?
- / - / -
0
399
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
400
OR1D5_HUMAN
3
38%
0.299
PF00001
62 -
(0)
?
- / - / -
0
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