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]
300
CCR9_HUMAN
20
40%
0.309
PF00001
C4_S1
72 -
(0)
4
- / - /
1
0
301
CALRL_HUMAN
8
40%
0.258
PF00001
C2_S1
19 -
(0)
2
- / - /
1
0
302
OR5BH_HUMAN
6
40%
0.329
PF00001
27 -
(0)
?
- / - / -
0
303
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
304
DRD5_HUMAN
34
40%
0.330
PF00001
C5_S1
196 -
(0)
10
- / - /
24
0
305
OR2C1_HUMAN
3
40%
0.327
PF10413
69 -
(0)
?
- / - / -
0
306
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
307
O10S1_HUMAN
13
40%
0.251
PF00001
52 -
(0)
?
- / - / -
0
308
O4C45_HUMAN
11
40%
0.289
PF00001
24 -
(0)
?
- / - / -
0
309
OR2B3_HUMAN
5
40%
0.226
PF10413
30 -
(0)
?
- / - / -
0
310
O51J1_HUMAN
11
40%
0.171
PF00959
16 -
(0)
?
- / - / -
0
311
OR8S1_HUMAN
11
39%
0.272
PF00001
29 -
(0)
?
- / - / -
0
312
NMUR1_HUMAN
20
39%
0.318
PF00001
60 -
(0)
3
- / - / -
0
313
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
314
O56B4_HUMAN
11
39%
0.172
PF00001
44 -
(0)
?
- / - / -
0
315
OXYR_HUMAN
18
39%
0.273
PF10413
56 -
(0)
?
- / - / -
0
316
OR1P1_HUMAN
6
39%
0.302
PF00001
69 -
(0)
?
- / - / -
0
317
OR2T4_HUMAN
5
39%
0.216
PF00001
36 -
(0)
?
- / - / -
0
318
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
319
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
320
CCKAR_HUMAN
17
39%
0.247
PF10413
37 -
(0)
?
- / - / -
0
321
FZD6_HUMAN
20
39%
0.290
PF01392
20 -
(0)
?
- / - / -
0
322
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
323
OR8U1_HUMAN
10
39%
0.355
PF00001
45 -
(0)
?
- / - / -
0
324
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
325
GPER1_HUMAN
18
39%
0.261
PF00001
47 -
(0)
?
- / - / -
0
326
NPBW1_HUMAN
20
39%
0.400
PF00001
71 -
(0)
?
- / - / -
0
327
O51V1_HUMAN
12
39%
0.225
PF00001
40 -
(0)
?
- / - / -
0
328
O52P1_HUMAN
12
39%
0.259
PF00001
41 -
(0)
?
- / - / -
0
329
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
330
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
331
GPR62_HUMAN
10
39%
0.361
PF00001
40 -
(0)
?
- / - / -
0
332
NTR2_HUMAN
11
39%
0.430
PF00001
86 -
(0)
?
- / - / -
0
333
ADA1D_HUMAN
20
39%
0.245
PF00001
235 -
(0)
1
- / - / -
0
334
OR2A2_HUMAN
6
39%
0.255
PF00001
45 -
(0)
?
- / - / -
0
335
P2RY2_HUMAN
20
39%
0.256
PF00001
58 -
(0)
?
- / - / -
0
336
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
337
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
338
OR2G3_HUMAN
3
38%
0.316
PF10413
68 -
(0)
?
- / - / -
0
339
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
340
GPR85_HUMAN
10
38%
0.235
PF00001
88 -
(0)
?
- / - / -
0
341
NPY2R_HUMAN
20
38%
0.347
PF00001
82 -
(0)
1
- / - / -
0
342
RXFP2_HUMAN
20
38%
0.481
PF01582
5 -
(0)
?
- / - / -
0
343
GPR63_HUMAN
20
38%
0.197
PF00001
C3_S1
74 -
(0)
5
- / - /
3
0
344
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
345
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
346
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
347
MRGX2_HUMAN
13
38%
0.182
PF00001
33 -
(0)
?
- / - / -
0
348
OR5W2_HUMAN
11
38%
0.298
PF00001
32 -
(0)
?
- / - / -
0
349
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
350
GPR45_HUMAN
20
38%
0.285
PF00001
76 -
(0)
3
- / - / -
0
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