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
O51J1_HUMAN
11
40%
0.171
PF00959
16 -
(0)
?
- / - / -
0
401
O51L1_HUMAN
11
32%
0.273
PF00001
50 -
(0)
?
- / - / -
0
402
O51M1_HUMAN
9
36%
0.202
PF10413
26 -
(0)
?
- / - / -
0
403
O51Q1_HUMAN
5
28%
0.165
PF00001
81 -
(0)
?
- / - / -
0
404
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
405
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
406
O51V1_HUMAN
12
39%
0.225
PF00001
40 -
(0)
?
- / - / -
0
407
O52A1_HUMAN
5
31%
0.299
PF00001
29 -
(0)
?
- / - / -
0
408
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
409
O52A5_HUMAN
5
31%
0.269
PF00001
57 -
(0)
?
- / - / -
0
410
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
411
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
412
O52B6_HUMAN
4
34%
0.278
PF00001
81 -
(0)
?
- / - / -
0
413
O52D1_HUMAN
1
31%
0.288
PF00001
66 -
(0)
?
- / - / -
0
414
O52E1_HUMAN
12
34%
0.274
PF00001
45 -
(0)
?
- / - / -
0
415
O52E2_HUMAN
11
31%
0.270
PF00001
37 -
(0)
?
- / - / -
0
416
O52E4_HUMAN
7
33%
0.271
PF00001
45 -
(0)
?
- / - / -
0
417
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
418
O52E6_HUMAN
6
41%
0.182
PF00001
57 -
(0)
?
- / - / -
0
419
O52E8_HUMAN
2
41%
0.267
PF00001
74 -
(0)
?
- / - / -
0
420
O52H1_HUMAN
12
43%
0.177
PF00001
31 -
(0)
?
- / - / -
0
421
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
422
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
423
O52J3_HUMAN
3
37%
0.231
PF00001
73 -
(0)
?
- / - / -
0
424
O52K1_HUMAN
9
33%
0.390
PF00001
53 -
(0)
?
- / - / -
0
425
O52K2_HUMAN
10
35%
0.377
PF00001
42 -
(0)
?
- / - / -
0
426
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
427
O52L2_HUMAN
12
28%
0.256
PF00001
42 -
(0)
?
- / - / -
0
428
O52M1_HUMAN
13
56%
0.320
PF00001
54 -
(0)
?
- / - / -
0
429
O52N1_HUMAN
11
26%
0.259
PF00001
40 -
(0)
?
- / - / -
0
430
O52N2_HUMAN
10
31%
0.241
PF00001
117 -
(0)
?
- / - / -
0
431
O52N4_HUMAN
8
33%
0.157
PF00001
32 -
(0)
?
- / - / -
0
432
O52N5_HUMAN
12
34%
0.393
PF00001
35 -
(0)
?
- / - / -
0
433
O52P1_HUMAN
12
39%
0.259
PF00001
41 -
(0)
?
- / - / -
0
434
O52R1_HUMAN
11
28%
0.220
PF00001
50 -
(0)
?
- / - / -
0
435
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
436
O52Z1_HUMAN
11
33%
0.218
PF00001
46 -
(0)
?
- / - / -
0
437
O56A1_HUMAN
2
50%
0.256
PF00001
92 -
(0)
?
- / - / -
0
438
O56A3_HUMAN
8
50%
0.252
PF00001
55 -
(0)
?
- / - / -
0
439
O56A4_HUMAN
9
50%
0.258
PF00001
35 -
(0)
?
- / - / -
0
440
O56A5_HUMAN
11
27%
0.264
PF00001
33 -
(0)
?
- / - / -
0
441
O56B1_HUMAN
12
37%
0.304
PF00001
44 -
(0)
?
- / - / -
0
442
O56B2_HUMAN
13
50%
0.262
PF00001
53 -
(0)
?
- / - / -
0
443
O56B4_HUMAN
11
39%
0.172
PF00001
44 -
(0)
?
- / - / -
0
444
O5AC1_HUMAN
12
34%
0.342
PF00001
29 -
(0)
?
- / - / -
0
445
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
446
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
447
O5AK3_HUMAN
9
28%
0.271
PF00001
35 -
(0)
?
- / - / -
0
448
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
449
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
450
O5AP2_HUMAN
5
40%
0.301
PF00001
35 -
(0)
?
- / - / -
0
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