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
GPC5C_HUMAN
0
35%
0.079
PF02790
2 -
(0)
?
- / - / -
0
451
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
452
OR4S2_HUMAN
12
27%
0.334
PF00001
29 -
(0)
?
- / - / -
0
453
AGRG4_HUMAN
8
24%
0.331
-
4 -
(0)
?
- / - / -
0
454
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
455
ACM3_HUMAN
20
98%
0.237
PF00001
83 -
(0)
?
- / - / -
0
456
OR2J1_HUMAN
6
28%
0.299
PF00001
41 -
(0)
?
- / - / -
0
457
FPR2_HUMAN
20
35%
0.227
PF00001
58 -
(0)
?
- / - / -
0
458
OR4F6_HUMAN
2
31%
0.303
PF10413
38 -
(0)
?
- / - / -
0
459
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
460
OR2H1_HUMAN
2
44%
0.235
PF10413
59 -
(0)
?
- / - / -
0
461
T2R41_HUMAN
11
29%
0.252
PF00001
14 -
(0)
?
- / - / -
0
462
OR4KE_HUMAN
2
61%
0.286
PF10413
42 -
(0)
?
- / - / -
0
463
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
464
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
465
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
466
O11H6_HUMAN
9
20%
0.283
PF00001
13 -
(0)
?
- / - / -
0
467
TAAR5_HUMAN
20
40%
0.314
PF00001
189 -
(0)
1
- / - / -
0
468
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
469
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
470
5HT2C_HUMAN
36
47%
0.356
PF00001
C4_S1
220 -
(0)
8
- /
1
/
16
0
471
GIPR_HUMAN
10
59%
0.352
PF00001
C3_S1
15 -
(0)
?
- / - /
1
0
472
OR5P2_HUMAN
13
29%
0.288
PF00001
28 -
(0)
?
- / - / -
0
473
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
474
ACTHR_HUMAN
20
46%
0.345
PF00001
82 -
(0)
2
- / - / -
0
475
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
476
OR8S1_HUMAN
11
39%
0.272
PF00001
29 -
(0)
?
- / - / -
0
477
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
478
OR2B2_HUMAN
9
40%
0.299
PF10413
35 -
(0)
?
- / - / -
0
479
TS1R2_HUMAN
20
28%
0.460
PF07562
33 -
(0)
?
- / - / -
0
480
O6C75_HUMAN
5
37%
0.296
PF00001
32 -
(0)
?
- / - / -
0
481
GP160_HUMAN
11
17%
0.300
PF00001
17 -
(0)
?
- / - / -
0
482
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
483
O10H5_HUMAN
8
37%
0.276
PF00001
39 -
(0)
?
- / - / -
0
484
O2AG2_HUMAN
5
42%
0.225
PF00001
42 -
(0)
?
- / - / -
0
485
O10H1_HUMAN
12
37%
0.267
PF00001
50 -
(0)
?
- / - / -
0
486
OR5W2_HUMAN
11
38%
0.298
PF00001
32 -
(0)
?
- / - / -
0
487
O10G9_HUMAN
13
37%
0.277
PF00001
33 -
(0)
?
- / - / -
0
488
AGRL2_HUMAN
20
86%
0.526
PF02140
C1_S1
13 -
(0)
1
1
/ - /
3
0
489
O52E1_HUMAN
12
34%
0.274
PF00001
45 -
(0)
?
- / - / -
0
490
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
491
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
492
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
493
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
494
P2Y12_HUMAN
19
100%
0.290
PF00001
67 -
(0)
?
- / - / -
0
495
OR4KH_HUMAN
3
40%
0.257
PF10413
34 -
(0)
?
- / - / -
0
496
GPR20_HUMAN
18
32%
0.221
PF00001
48 -
(0)
?
- / - / -
0
497
PKR1_HUMAN
20
35%
0.257
PF00001
66 -
(0)
1
- / - / -
0
498
TAAR8_HUMAN
20
32%
0.347
PF00001
180 -
(0)
?
- / - / -
0
499
OR2F1_HUMAN
2
37%
0.244
PF00001
89 -
(0)
?
- / - / -
0
500
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
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