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
GP101_HUMAN
20
36%
0.166
PF00001
41 -
(0)
?
- / - / -
0
451
OR4N2_HUMAN
3
37%
0.318
PF10413
41 -
(0)
?
- / - / -
0
452
OR2L2_HUMAN
3
44%
0.251
PF10413
41 -
(0)
?
- / - / -
0
453
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
454
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
455
O52N1_HUMAN
11
26%
0.259
PF00001
40 -
(0)
?
- / - / -
0
456
OR7AH_HUMAN
11
33%
0.226
PF00001
40 -
(0)
?
- / - / -
0
457
O2AT4_HUMAN
5
30%
0.338
PF00001
40 -
(0)
?
- / - / -
0
458
OR1E1_HUMAN
5
27%
0.344
PF00001
40 -
(0)
?
- / - / -
0
459
O10Z1_HUMAN
9
59%
0.265
PF00001
40 -
(0)
?
- / - / -
0
460
OR4CD_HUMAN
10
30%
0.334
PF00001
40 -
(0)
?
- / - / -
0
461
GPR62_HUMAN
10
39%
0.361
PF00001
40 -
(0)
?
- / - / -
0
462
S1PR1_HUMAN
20
99%
0.284
PF00001
C2_S1
40 -
(0)
?
- /
1
/ -
0
463
OR2T8_HUMAN
6
28%
0.253
PF00001
40 -
(0)
?
- / - / -
0
464
O51D1_HUMAN
13
29%
0.191
PF00001
40 -
(0)
?
- / - / -
0
465
O51V1_HUMAN
12
39%
0.225
PF00001
40 -
(0)
?
- / - / -
0
466
O2T27_HUMAN
6
31%
0.297
PF00001
40 -
(0)
?
- / - / -
0
467
OR2H2_HUMAN
5
50%
0.265
PF10413
40 -
(0)
?
- / - / -
0
468
OR6T1_HUMAN
7
50%
0.315
PF00001
39 -
(0)
?
- / - / -
0
469
GRPR_HUMAN
20
36%
0.216
PF00001
39 -
(0)
?
- / - / -
0
470
O2AK2_HUMAN
13
30%
0.170
PF00001
39 -
(0)
?
- / - / -
0
471
OR4D6_HUMAN
6
31%
0.257
PF00001
39 -
(0)
?
- / - / -
0
472
O10A6_HUMAN
5
27%
0.340
PF00001
39 -
(0)
?
- / - / -
0
473
NK2R_HUMAN
20
58%
0.306
PF00001
39 -
(0)
?
- / - / -
0
474
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
475
OR6M1_HUMAN
6
30%
0.304
PF00001
39 -
(0)
?
- / - / -
0
476
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
477
O10H5_HUMAN
8
37%
0.276
PF00001
39 -
(0)
?
- / - / -
0
478
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
479
OR1M1_HUMAN
4
35%
0.298
PF00001
39 -
(0)
?
- / - / -
0
480
OR9K2_HUMAN
13
36%
0.371
PF00001
39 -
(0)
?
- / - / -
0
481
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
482
O13C3_HUMAN
9
54%
0.304
PF10413
39 -
(0)
?
- / - / -
0
483
O6C70_HUMAN
8
52%
0.342
PF00001
38 -
(0)
?
- / - / -
0
484
O10V1_HUMAN
2
54%
0.251
PF00001
38 -
(0)
?
- / - / -
0
485
OR5MB_HUMAN
5
32%
0.261
PF00001
38 -
(0)
?
- / - / -
0
486
OR6C4_HUMAN
3
61%
0.294
PF10413
38 -
(0)
?
- / - / -
0
487
OR2Y1_HUMAN
7
27%
0.204
PF10413
38 -
(0)
?
- / - / -
0
488
S1PR2_HUMAN
20
54%
0.257
PF00001
C3_S1
38 -
(0)
?
- / - /
1
0
489
OR4F6_HUMAN
2
31%
0.303
PF10413
38 -
(0)
?
- / - / -
0
490
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
491
O11H2_HUMAN
6
40%
0.301
PF00001
38 -
(0)
?
- / - / -
0
492
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
493
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
494
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
495
OR5I1_HUMAN
12
40%
0.241
PF00001
38 -
(0)
?
- / - / -
0
496
OR1D2_HUMAN
6
29%
0.301
PF00001
38 -
(0)
?
- / - / -
0
497
OR1N2_HUMAN
7
33%
0.282
PF00001
38 -
(0)
?
- / - / -
0
498
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
499
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
500
O14J1_HUMAN
5
32%
0.297
PF00001
37 -
(0)
?
- / - / -
0
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