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
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
451
PE2R2_HUMAN
13
29%
0.386
PF00001
85 -
(0)
?
- / - / -
0
452
OR1L3_HUMAN
3
46%
0.303
PF00001
81 -
(0)
?
- / - / -
0
453
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
454
OR8H1_HUMAN
9
63%
0.330
PF00001
33 -
(0)
?
- / - / -
0
455
OR2BB_HUMAN
0
33%
0.283
PF00001
69 -
(0)
?
- / - / -
0
456
OR4DA_HUMAN
10
35%
0.299
PF00001
43 -
(0)
?
- / - / -
0
457
OR4S1_HUMAN
7
56%
0.219
PF00001
46 -
(0)
?
- / - / -
0
458
OR4CF_HUMAN
9
66%
0.225
PF00001
33 -
(0)
?
- / - / -
0
459
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
460
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
461
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
462
GP182_HUMAN
19
37%
0.247
PF00001
55 -
(0)
1
- / - / -
0
463
ACM1_HUMAN
20
63%
0.264
PF00001
C3_S1
43 -
(0)
6
- /
7
/ -
3
464
O2A14_HUMAN
7
33%
0.321
PF00001
62 -
(0)
?
- / - / -
0
465
O56A3_HUMAN
8
50%
0.252
PF00001
55 -
(0)
?
- / - / -
0
466
OR6C3_HUMAN
5
37%
0.348
PF00001
43 -
(0)
?
- / - / -
0
467
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
468
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
469
O52J3_HUMAN
3
37%
0.231
PF00001
73 -
(0)
?
- / - / -
0
470
GP173_HUMAN
7
32%
0.229
PF00001
102 -
(0)
?
- / - / -
0
471
O52D1_HUMAN
1
31%
0.288
PF00001
66 -
(0)
?
- / - / -
0
472
OR2F2_HUMAN
7
33%
0.250
PF00001
88 -
(0)
?
- / - / -
0
473
OR4X1_HUMAN
5
46%
0.234
PF00001
73 -
(0)
?
- / - / -
0
474
O2T10_HUMAN
3
33%
0.254
PF00001
94 -
(0)
?
- / - / -
0
475
OR1L8_HUMAN
2
38%
0.268
PF00001
78 -
(0)
?
- / - / -
0
476
OR7C1_HUMAN
5
31%
0.235
PF00001
41 -
(0)
?
- / - / -
0
477
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
478
PE2R1_HUMAN
13
34%
0.348
PF00001
41 -
(0)
?
- / - / -
0
479
OR2F1_HUMAN
2
37%
0.244
PF00001
89 -
(0)
?
- / - / -
0
480
OR6T1_HUMAN
7
50%
0.315
PF00001
39 -
(0)
?
- / - / -
0
481
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
482
NK1R_HUMAN
20
100%
0.245
PF00001
52 -
(0)
?
- / - / -
0
483
CNR1_HUMAN
20
95%
0.245
PF00001
84 -
(0)
?
- / - / -
0
484
OR1Q1_HUMAN
8
33%
0.198
PF00001
46 -
(0)
?
- / - / -
0
485
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
486
GP161_HUMAN
20
32%
0.336
PF00001
111 -
(0)
?
- / - / -
0
487
HRH4_HUMAN
20
50%
0.245
PF00001
49 -
(0)
?
- / - / -
0
488
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
489
NPFF1_HUMAN
20
36%
0.321
PF00001
62 -
(0)
?
- / - / -
0
490
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
491
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
492
O10J6_HUMAN
10
36%
0.116
PF00001
58 -
(0)
?
- / - / -
0
493
OR5M8_HUMAN
8
40%
0.249
PF00001
36 -
(0)
?
- / - / -
0
494
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
495
OR7C2_HUMAN
6
31%
0.217
PF00001
59 -
(0)
?
- / - / -
0
496
GPR26_HUMAN
10
29%
0.256
PF00001
74 -
(0)
?
- / - / -
0
497
O11L1_HUMAN
1
53%
0.312
PF00001
74 -
(0)
?
- / - / -
0
498
GPR45_HUMAN
20
38%
0.285
PF00001
76 -
(0)
3
- / - / -
0
499
OR6X1_HUMAN
7
29%
0.281
PF00001
53 -
(0)
?
- / - / -
0
500
GPR63_HUMAN
20
38%
0.197
PF00001
C3_S1
74 -
(0)
5
- / - /
3
0
<<
Page
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
/ 17
>>
- Show
50
100
250
500
All