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]
400
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
401
OR6C1_HUMAN
11
31%
0.286
PF10413
26 -
(0)
?
- / - / -
0
402
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
403
MCHR2_HUMAN
20
41%
0.257
PF00001
87 -
(0)
?
- / - / -
0
404
O10W1_HUMAN
7
22%
0.222
PF00001
17 -
(0)
?
- / - / -
0
405
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
406
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
407
PE2R4_HUMAN
12
35%
0.273
PF00001
60 -
(0)
?
- / - / -
0
408
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
409
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
410
OR3A3_HUMAN
12
46%
0.235
PF00001
47 -
(0)
?
- / - / -
0
411
OR1S1_HUMAN
8
50%
0.255
PF00001
32 -
(0)
?
- / - / -
0
412
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
413
OR5P3_HUMAN
12
31%
0.236
PF00001
32 -
(0)
?
- / - / -
0
414
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
415
GPC5D_HUMAN
0
33%
0.094
PF00959
4 -
(0)
?
- / - / -
0
416
GP174_HUMAN
16
33%
0.262
PF00001
73 -
(0)
?
- / - / -
0
417
OR4C5_HUMAN
13
19%
0.270
PF00001
13 -
(0)
?
- / - / -
0
418
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
419
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
420
ACKR4_HUMAN
20
36%
0.209
PF00001
72 -
(0)
1
- / - / -
0
421
O13D1_HUMAN
3
42%
0.263
PF10413
25 -
(0)
?
- / - / -
0
422
OR2L5_HUMAN
12
36%
0.099
PF00001
32 -
(0)
?
- / - / -
0
423
CCR6_HUMAN
20
45%
0.235
PF00001
57 -
(0)
?
- / - / -
0
424
NTR1_HUMAN
20
90%
0.476
PF00001
75 -
(0)
2
- / - / -
0
425
OXYR_HUMAN
18
39%
0.273
PF10413
56 -
(0)
?
- / - / -
0
426
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
427
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
428
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
429
O14AG_HUMAN
4
33%
0.302
PF10413
44 -
(0)
?
- / - / -
0
430
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
431
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
432
PE2R1_HUMAN
13
34%
0.348
PF00001
41 -
(0)
?
- / - / -
0
433
GPR27_HUMAN
7
32%
0.210
PF10413
80 -
(0)
?
- / - / -
0
434
OR6N1_HUMAN
5
37%
0.405
PF00001
51 -
(0)
?
- / - / -
0
435
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
436
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
437
OR6S1_HUMAN
6
34%
0.335
PF00001
36 -
(0)
?
- / - / -
0
438
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
439
O11H4_HUMAN
9
32%
0.206
PF00001
47 -
(0)
?
- / - / -
0
440
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
441
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
442
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
443
GP183_HUMAN
20
33%
0.263
PF00001
51 -
(0)
?
- / - / -
0
444
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
445
LPAR1_HUMAN
20
100%
0.290
PF00001
27 -
(0)
?
- / - / -
0
446
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
447
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
448
OR1F1_HUMAN
7
27%
0.328
PF00001
37 -
(0)
?
- / - / -
0
449
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
450
AGRL4_HUMAN
8
34%
0.269
PF00001
11 -
(0)
?
- / - / -
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