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
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
451
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
452
OR2T7_HUMAN
4
36%
0.282
PF00001
73 -
(0)
?
- / - / -
0
453
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
454
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
455
OR4F4_HUMAN
7
36%
0.182
PF00001
34 -
(0)
?
- / - / -
0
456
O10J6_HUMAN
10
36%
0.116
PF00001
58 -
(0)
?
- / - / -
0
457
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
458
OR4F5_HUMAN
4
36%
0.200
PF00001
37 -
(0)
?
- / - / -
0
459
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
460
OR4N4_HUMAN
12
36%
0.301
PF10413
36 -
(0)
?
- / - / -
0
461
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
462
O51M1_HUMAN
9
36%
0.202
PF10413
26 -
(0)
?
- / - / -
0
463
OR2L5_HUMAN
12
36%
0.099
PF00001
32 -
(0)
?
- / - / -
0
464
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
465
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
466
OR2J2_HUMAN
7
36%
0.226
PF00001
35 -
(0)
?
- / - / -
0
467
C3AR_HUMAN
6
36%
0.198
PF00001
116 -
(0)
?
- / - / -
0
468
ADA1B_HUMAN
27
36%
0.322
PF00001
C7_S1
224 -
(0)
7
- / - /
3
0
469
GALR3_HUMAN
20
35%
0.229
PF00001
76 -
(0)
?
- / - / -
0
470
CLTR1_HUMAN
20
35%
0.277
PF00001
54 -
(0)
?
- / - / -
0
471
CASR_HUMAN
24
35%
0.459
PF07562
C2_S1
37 -
(0)
15
- / - /
13
6
472
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
473
PE2R4_HUMAN
12
35%
0.273
PF00001
60 -
(0)
?
- / - / -
0
474
VN1R2_HUMAN
11
35%
0.189
PF00001
12 -
(0)
?
- / - / -
0
475
C5AR2_HUMAN
14
35%
0.285
PF12109
43 -
(0)
?
- / - / -
0
476
OR1M1_HUMAN
4
35%
0.298
PF00001
39 -
(0)
?
- / - / -
0
477
GP135_HUMAN
20
35%
0.287
PF10413
28 -
(0)
?
- / - / -
0
478
O13H1_HUMAN
5
35%
0.285
PF00001
42 -
(0)
?
- / - / -
0
479
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
480
PKR1_HUMAN
20
35%
0.257
PF00001
66 -
(0)
1
- / - / -
0
481
GPR19_HUMAN
20
35%
0.226
PF00001
81 -
(0)
?
- / - / -
0
482
OR1N1_HUMAN
5
35%
0.260
PF00001
55 -
(0)
?
- / - / -
0
483
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
484
FPR2_HUMAN
20
35%
0.227
PF00001
58 -
(0)
?
- / - / -
0
485
XCR1_HUMAN
20
35%
0.313
PF00001
56 -
(0)
?
- / - / -
0
486
5HT6R_HUMAN
25
35%
0.343
PF00001
C5_S1
167 -
(0)
2
- / - /
3
0
487
OR5G3_HUMAN
13
35%
0.305
PF00001
27 -
(0)
?
- / - / -
0
488
V1AR_HUMAN
19
35%
0.241
PF00001
45 -
(0)
?
- / - / -
0
489
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
490
OR1B1_HUMAN
7
35%
0.334
PF00001
82 -
(0)
?
- / - / -
0
491
GPC5C_HUMAN
0
35%
0.079
PF02790
2 -
(0)
?
- / - / -
0
492
PKR2_HUMAN
20
35%
0.250
PF00001
51 -
(0)
?
- / - / -
0
493
PAR1_HUMAN
20
35%
0.203
PF00001
49 -
(0)
?
- / - / -
0
494
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
495
OR2J3_HUMAN
7
35%
0.219
PF00001
34 -
(0)
?
- / - / -
0
496
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
497
OPN5_HUMAN
20
35%
0.177
PF10413
117 -
(0)
?
- / - / -
0
498
OR4DA_HUMAN
10
35%
0.299
PF00001
43 -
(0)
?
- / - / -
0
499
OR7A2_HUMAN
8
35%
0.232
PF00001
33 -
(0)
?
- / - / -
0
500
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
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