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
OR4D5_HUMAN
6
40%
0.321
PF00001
48 -
(0)
?
- / - / -
0
451
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
452
T2R20_HUMAN
11
22%
0.286
PF00001
14 -
(0)
?
- / - / -
0
453
O52K2_HUMAN
10
35%
0.377
PF00001
42 -
(0)
?
- / - / -
0
454
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
455
CML1_HUMAN
19
34%
0.209
PF00001
49 -
(0)
?
- / - / -
0
456
O6C68_HUMAN
3
34%
0.237
PF10413
44 -
(0)
?
- / - / -
0
457
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
458
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
459
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
460
OR4F4_HUMAN
7
36%
0.182
PF00001
34 -
(0)
?
- / - / -
0
461
GPER1_HUMAN
18
39%
0.261
PF00001
47 -
(0)
?
- / - / -
0
462
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
463
AGRF5_HUMAN
16
34%
0.252
PF07686
20 -
(0)
?
- / - / -
0
464
QRFPR_HUMAN
20
31%
0.253
PF00001
45 -
(0)
?
- / - / -
0
465
OR4KE_HUMAN
2
61%
0.286
PF10413
42 -
(0)
?
- / - / -
0
466
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
467
OR6S1_HUMAN
6
34%
0.335
PF00001
36 -
(0)
?
- / - / -
0
468
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
469
DRD3_HUMAN
12
100%
0.299
PF00001
126 -
(0)
?
- / - / -
0
470
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
471
OR8H2_HUMAN
7
33%
0.364
PF00001
44 -
(0)
?
- / - / -
0
472
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
473
AGRF1_HUMAN
8
37%
0.349
PF00001
11 -
(0)
?
- / - / -
0
474
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
475
OR6K6_HUMAN
12
59%
0.328
PF00001
31 -
(0)
?
- / - / -
0
476
OR1N1_HUMAN
5
35%
0.260
PF00001
55 -
(0)
?
- / - / -
0
477
GPR52_HUMAN
20
37%
0.293
PF00001
110 -
(0)
?
- / - / -
0
478
OR9G4_HUMAN
8
52%
0.304
PF00001
59 -
(0)
?
- / - / -
0
479
NMUR1_HUMAN
20
39%
0.318
PF00001
60 -
(0)
3
- / - / -
0
480
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
481
O52K1_HUMAN
9
33%
0.390
PF00001
53 -
(0)
?
- / - / -
0
482
P2Y12_HUMAN
19
100%
0.290
PF00001
67 -
(0)
?
- / - / -
0
483
OR2M3_HUMAN
3
50%
0.334
PF10413
45 -
(0)
?
- / - / -
0
484
OR7G2_HUMAN
5
32%
0.314
PF00001
46 -
(0)
?
- / - / -
0
485
MRGRF_HUMAN
13
52%
0.119
PF00001
33 -
(0)
?
- / - / -
0
486
OR3A4_HUMAN
14
31%
0.240
PF00001
36 -
(0)
?
- / - / -
0
487
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
488
OR1E3_HUMAN
8
31%
0.287
PF00001
42 -
(0)
?
- / - / -
0
489
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
490
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
491
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
492
OR4P4_HUMAN
13
40%
0.212
PF00001
54 -
(0)
?
- / - / -
0
493
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
494
T2R39_HUMAN
11
27%
0.326
PF00001
20 -
(0)
?
- / - / -
0
495
OR6F1_HUMAN
1
31%
0.276
PF10413
46 -
(0)
?
- / - / -
0
496
OR5BC_HUMAN
6
36%
0.297
PF00001
36 -
(0)
?
- / - / -
0
497
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
498
OR5H1_HUMAN
13
31%
0.315
PF00001
36 -
(0)
?
- / - / -
0
499
OR5G3_HUMAN
13
35%
0.305
PF00001
27 -
(0)
?
- / - / -
0
500
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
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