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
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
401
OPN5_HUMAN
20
35%
0.177
PF10413
117 -
(0)
?
- / - / -
0
402
O10H5_HUMAN
8
37%
0.276
PF00001
39 -
(0)
?
- / - / -
0
403
CCR6_HUMAN
20
45%
0.235
PF00001
57 -
(0)
?
- / - / -
0
404
OR2W3_HUMAN
3
25%
0.238
PF10413
59 -
(0)
?
- / - / -
0
405
GP141_HUMAN
8
30%
0.358
PF00001
57 -
(0)
?
- / - / -
0
406
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
407
AGRF5_HUMAN
16
34%
0.252
PF07686
20 -
(0)
?
- / - / -
0
408
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
409
OR5DD_HUMAN
12
57%
0.261
PF00001
29 -
(0)
?
- / - / -
0
410
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
411
MAS1L_HUMAN
12
32%
0.281
PF00001
18 -
(0)
?
- / - / -
0
412
TAAR9_HUMAN
20
38%
0.265
PF00001
264 -
(0)
?
- / - / -
0
413
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
414
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
415
OR6T1_HUMAN
7
50%
0.315
PF00001
39 -
(0)
?
- / - / -
0
416
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
417
OR2Z1_HUMAN
5
30%
0.239
PF00001
50 -
(0)
?
- / - / -
0
418
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
419
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
420
P2RY4_HUMAN
20
42%
0.239
PF00001
50 -
(0)
?
- / - / -
0
421
TAAR3_HUMAN
20
50%
0.301
PF00001
74 -
(0)
?
- / - / -
0
422
O6C70_HUMAN
8
52%
0.342
PF00001
38 -
(0)
?
- / - / -
0
423
OR4K3_HUMAN
6
41%
0.230
PF10413
41 -
(0)
?
- / - / -
0
424
O52E6_HUMAN
6
41%
0.182
PF00001
57 -
(0)
?
- / - / -
0
425
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
426
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
427
LGR4_HUMAN
19
100%
0.407
PF01462
23 -
(0)
?
- / - / -
0
428
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
429
AGRB3_HUMAN
9
64%
0.402
PF00090
13 -
(0)
?
- / - / -
0
430
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
431
OR4X1_HUMAN
5
46%
0.234
PF00001
73 -
(0)
?
- / - / -
0
432
GABR2_HUMAN
20
100%
0.488
PF07562
48 -
(0)
?
- / - / -
0
433
OR2A2_HUMAN
6
39%
0.255
PF00001
45 -
(0)
?
- / - / -
0
434
O13C4_HUMAN
6
59%
0.302
PF00001
32 -
(0)
?
- / - / -
0
435
OR2K2_HUMAN
7
44%
0.297
PF10413
28 -
(0)
?
- / - / -
0
436
T2R39_HUMAN
11
27%
0.326
PF00001
20 -
(0)
?
- / - / -
0
437
OR7G1_HUMAN
5
38%
0.205
PF00001
46 -
(0)
?
- / - / -
0
438
TA2R_HUMAN
8
34%
0.375
PF00001
107 -
(0)
?
- / - / -
0
439
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
440
OR4E1_HUMAN
11
31%
0.266
PF00001
34 -
(0)
?
- / - / -
0
441
OR5M1_HUMAN
7
32%
0.343
PF00001
33 -
(0)
?
- / - / -
0
442
O51D1_HUMAN
13
29%
0.191
PF00001
40 -
(0)
?
- / - / -
0
443
GPR55_HUMAN
14
33%
0.271
PF00001
36 -
(0)
?
- / - / -
0
444
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
445
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
446
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
447
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
448
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
449
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
450
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
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