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]
450
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
451
GP157_HUMAN
11
38%
0.283
PF12109
35 -
(0)
?
- / - / -
0
452
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
453
O14I1_HUMAN
12
34%
0.352
PF10413
33 -
(0)
?
- / - / -
0
454
RGR_HUMAN
20
31%
0.323
PF10413
56 -
(0)
?
- / - / -
0
455
OR6K2_HUMAN
9
46%
0.215
PF00001
34 -
(0)
?
- / - / -
0
456
PE2R4_HUMAN
12
35%
0.273
PF00001
60 -
(0)
?
- / - / -
0
457
O51G1_HUMAN
4
33%
0.241
PF10413
48 -
(0)
?
- / - / -
0
458
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
459
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
460
O52N1_HUMAN
11
26%
0.259
PF00001
40 -
(0)
?
- / - / -
0
461
OR2J3_HUMAN
7
35%
0.219
PF00001
34 -
(0)
?
- / - / -
0
462
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
463
AGRE2_HUMAN
18
86%
0.354
PF00084
1 -
(0)
?
- / - / -
0
464
PAR3_HUMAN
20
45%
0.234
PF00001
55 -
(0)
?
- / - / -
0
465
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
466
OR6Q1_HUMAN
9
59%
0.289
PF00001
44 -
(0)
?
- / - / -
0
467
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
468
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
469
HCAR2_HUMAN
19
34%
0.229
PF00001
72 -
(0)
?
- / - / -
0
470
O10A2_HUMAN
6
32%
0.319
PF00001
44 -
(0)
?
- / - / -
0
471
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
472
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
473
OR8D1_HUMAN
10
34%
0.134
PF00001
34 -
(0)
?
- / - / -
0
474
OR1D2_HUMAN
6
29%
0.301
PF00001
38 -
(0)
?
- / - / -
0
475
OR6B3_HUMAN
13
70%
0.296
PF00001
36 -
(0)
?
- / - / -
0
476
OR4N2_HUMAN
3
37%
0.318
PF10413
41 -
(0)
?
- / - / -
0
477
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
478
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
479
OR5DD_HUMAN
12
57%
0.261
PF00001
29 -
(0)
?
- / - / -
0
480
GPBAR_HUMAN
14
31%
0.359
PF10413
17 -
(0)
?
- / - / -
0
481
OR3A1_HUMAN
11
30%
0.264
PF00001
48 -
(0)
?
- / - / -
0
482
OR5K2_HUMAN
13
48%
0.243
PF00001
34 -
(0)
?
- / - / -
0
483
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
484
O11H4_HUMAN
9
32%
0.206
PF00001
47 -
(0)
?
- / - / -
0
485
O10R2_HUMAN
12
33%
0.278
PF00001
25 -
(0)
?
- / - / -
0
486
GPR87_HUMAN
20
40%
0.263
PF12109
42 -
(0)
?
- / - / -
0
487
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
488
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
489
T2R43_HUMAN
5
25%
0.272
PF00001
20 -
(0)
?
- / - / -
0
490
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
491
GP162_HUMAN
11
30%
0.245
PF00001
32 -
(0)
?
- / - / -
0
492
OR4CC_HUMAN
12
46%
0.260
PF00001
30 -
(0)
?
- / - / -
0
493
T2R20_HUMAN
11
22%
0.286
PF00001
14 -
(0)
?
- / - / -
0
494
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
495
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
496
AGRF3_HUMAN
5
27%
0.380
PF07654
11 -
(0)
?
- / - / -
0
497
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
498
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
499
P2Y14_HUMAN
15
46%
0.262
PF00001
60 -
(0)
?
- / - / -
0
500
OR5C1_HUMAN
13
31%
0.302
PF00001
24 -
(0)
?
- / - / -
0
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