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
OR1D5_HUMAN
3
38%
0.299
PF00001
62 -
(0)
?
- / - / -
0
401
OR1D2_HUMAN
6
29%
0.301
PF00001
38 -
(0)
?
- / - / -
0
402
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
403
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
404
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
405
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
406
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
407
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
408
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
409
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
410
O52E6_HUMAN
6
41%
0.182
PF00001
57 -
(0)
?
- / - / -
0
411
O6C76_HUMAN
4
47%
0.252
PF00001
30 -
(0)
?
- / - / -
0
412
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
413
PKR2_HUMAN
20
35%
0.250
PF00001
51 -
(0)
?
- / - / -
0
414
GALR3_HUMAN
20
35%
0.229
PF00001
76 -
(0)
?
- / - / -
0
415
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
416
PD2R2_HUMAN
18
32%
0.327
PF00001
65 -
(0)
?
- / - / -
0
417
O51Q1_HUMAN
5
28%
0.165
PF00001
81 -
(0)
?
- / - / -
0
418
NPY4R_HUMAN
20
33%
0.260
PF00001
58 -
(0)
?
- / - / -
0
419
O51A7_HUMAN
6
30%
0.263
PF00001
100 -
(0)
?
- / - / -
0
420
OR2S1_HUMAN
3
44%
0.216
PF00001
81 -
(0)
?
- / - / -
0
421
OR6K2_HUMAN
9
46%
0.215
PF00001
34 -
(0)
?
- / - / -
0
422
OR8H3_HUMAN
7
31%
0.330
PF00001
35 -
(0)
?
- / - / -
0
423
O2T11_HUMAN
3
38%
0.356
PF00001
83 -
(0)
?
- / - / -
0
424
O2T27_HUMAN
6
31%
0.297
PF00001
40 -
(0)
?
- / - / -
0
425
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
426
V1BR_HUMAN
11
29%
0.222
PF00001
76 -
(0)
?
- / - / -
0
427
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
428
GP142_HUMAN
8
46%
0.283
PF00001
36 -
(0)
?
- / - / -
0
429
O10G9_HUMAN
13
37%
0.277
PF00001
33 -
(0)
?
- / - / -
0
430
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
431
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
432
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
433
GNRHR_HUMAN
4
40%
0.251
PF00001
68 -
(0)
?
- / - / -
0
434
O14K1_HUMAN
5
47%
0.284
PF00001
69 -
(0)
?
- / - / -
0
435
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
436
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
437
P2RY6_HUMAN
20
38%
0.265
PF00001
65 -
(0)
?
- / - / -
0
438
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
439
GALR2_HUMAN
20
43%
0.320
PF00001
92 -
(0)
?
- / - / -
0
440
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
441
GP148_HUMAN
12
26%
0.311
PF00001
65 -
(0)
?
- / - / -
0
442
O56B1_HUMAN
12
37%
0.304
PF00001
44 -
(0)
?
- / - / -
0
443
OR5MB_HUMAN
5
32%
0.261
PF00001
38 -
(0)
?
- / - / -
0
444
OR8K3_HUMAN
12
33%
0.382
PF00001
65 -
(0)
?
- / - / -
0
445
O10G6_HUMAN
13
38%
0.291
PF00001
30 -
(0)
?
- / - / -
0
446
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
447
OR3A3_HUMAN
12
46%
0.235
PF00001
47 -
(0)
?
- / - / -
0
448
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
449
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
450
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
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