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
O5AP2_HUMAN
5
40%
0.301
PF00001
35 -
(0)
?
- / - / -
0
451
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
452
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
453
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
454
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
455
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
456
O6C65_HUMAN
7
42%
0.270
PF00001
51 -
(0)
?
- / - / -
0
457
O6C68_HUMAN
3
34%
0.237
PF10413
44 -
(0)
?
- / - / -
0
458
O6C70_HUMAN
8
52%
0.342
PF00001
38 -
(0)
?
- / - / -
0
459
O6C74_HUMAN
3
40%
0.279
PF00001
32 -
(0)
?
- / - / -
0
460
O6C75_HUMAN
5
37%
0.296
PF00001
32 -
(0)
?
- / - / -
0
461
O6C76_HUMAN
4
47%
0.252
PF00001
30 -
(0)
?
- / - / -
0
462
O7E24_HUMAN
12
29%
0.260
PF00001
35 -
(0)
?
- / - / -
0
463
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
464
OPN3_HUMAN
20
32%
0.282
PF10413
80 -
(0)
1
- / - / -
0
465
OPN4_HUMAN
20
42%
0.404
PF10413
81 -
(0)
?
- / - / -
0
466
OPN5_HUMAN
20
35%
0.177
PF10413
117 -
(0)
?
- / - / -
0
467
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
468
OPRK_HUMAN
20
98%
0.361
PF00001
C2_S1
57 -
(0)
4
- /
3
/
5
2
469
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
470
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
471
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
472
OPSD_HUMAN
26
93%
0.359
PF10413
C8_S1
24 -
(0)
5
- / - /
3
0
473
OPSG_HUMAN
21
43%
0.404
PF10413
C10_S1
23 -
(0)
5
- / - /
4
0
474
OPSR_HUMAN
21
42%
0.370
PF10413
C10_S1
24 -
(0)
5
- / - /
3
0
475
OPSX_HUMAN
20
47%
0.301
PF10413
70 -
(0)
?
- / - / -
0
476
OR1A1_HUMAN
5
33%
0.215
PF00001
58 -
(0)
?
- / - / -
0
477
OR1A2_HUMAN
6
31%
0.259
PF00001
51 -
(0)
?
- / - / -
0
478
OR1B1_HUMAN
7
35%
0.334
PF00001
82 -
(0)
?
- / - / -
0
479
OR1C1_HUMAN
6
33%
0.189
PF00001
37 -
(0)
?
- / - / -
0
480
OR1D2_HUMAN
6
29%
0.301
PF00001
38 -
(0)
?
- / - / -
0
481
OR1D4_HUMAN
7
38%
0.348
PF00001
56 -
(0)
?
- / - / -
0
482
OR1D5_HUMAN
3
38%
0.299
PF00001
62 -
(0)
?
- / - / -
0
483
OR1E1_HUMAN
5
27%
0.344
PF00001
40 -
(0)
?
- / - / -
0
484
OR1E2_HUMAN
6
28%
0.332
PF00001
77 -
(0)
?
- / - / -
0
485
OR1E3_HUMAN
8
31%
0.287
PF00001
42 -
(0)
?
- / - / -
0
486
OR1F1_HUMAN
7
27%
0.328
PF00001
37 -
(0)
?
- / - / -
0
487
OR1F2_HUMAN
7
29%
0.302
PF00001
34 -
(0)
?
- / - / -
0
488
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
489
OR1G1_HUMAN
7
30%
0.239
PF00001
35 -
(0)
?
- / - / -
0
490
OR1I1_HUMAN
13
37%
0.301
PF00001
55 -
(0)
?
- / - / -
0
491
OR1J1_HUMAN
6
37%
0.222
PF00001
46 -
(0)
?
- / - / -
0
492
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
493
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
494
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
495
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
496
OR1L3_HUMAN
3
46%
0.303
PF00001
81 -
(0)
?
- / - / -
0
497
OR1L4_HUMAN
5
34%
0.222
PF00001
84 -
(0)
?
- / - / -
0
498
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
499
OR1L8_HUMAN
2
38%
0.268
PF00001
78 -
(0)
?
- / - / -
0
500
OR1M1_HUMAN
4
35%
0.298
PF00001
39 -
(0)
?
- / - / -
0
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