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
OR5DI_HUMAN
13
40%
0.296
PF00001
29 -
(0)
?
- / - / -
0
301
O51D1_HUMAN
13
29%
0.191
PF00001
40 -
(0)
?
- / - / -
0
302
OR5P2_HUMAN
13
29%
0.288
PF00001
28 -
(0)
?
- / - / -
0
303
OR4C5_HUMAN
13
19%
0.270
PF00001
13 -
(0)
?
- / - / -
0
304
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
305
AGRG2_HUMAN
13
30%
0.149
PF00001
15 -
(0)
?
- / - / -
0
306
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
307
GASR_HUMAN
13
30%
0.241
PF00001
20 -
(0)
?
- / - / -
0
308
OR4B1_HUMAN
13
30%
0.201
PF00001
28 -
(0)
?
- / - / -
0
309
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
310
MRGX2_HUMAN
13
38%
0.182
PF00001
33 -
(0)
?
- / - / -
0
311
OR4DB_HUMAN
13
28%
0.252
PF00001
27 -
(0)
?
- / - / -
0
312
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
313
O51A4_HUMAN
13
32%
0.289
PF00001
32 -
(0)
?
- / - / -
0
314
OR1I1_HUMAN
13
37%
0.301
PF00001
55 -
(0)
?
- / - / -
0
315
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
316
O51F1_HUMAN
13
32%
0.255
PF00001
51 -
(0)
?
- / - / -
0
317
OR5H2_HUMAN
13
57%
0.345
PF10413
24 -
(0)
?
- / - / -
0
318
O10G9_HUMAN
13
37%
0.277
PF00001
33 -
(0)
?
- / - / -
0
319
OR8J2_HUMAN
13
30%
0.342
PF00001
34 -
(0)
?
- / - / -
0
320
MRGRF_HUMAN
13
52%
0.119
PF00001
33 -
(0)
?
- / - / -
0
321
O52M1_HUMAN
13
56%
0.320
PF00001
54 -
(0)
?
- / - / -
0
322
CRFR2_HUMAN
13
100%
0.442
PF02793
C4_S1
22 -
(0)
?
- /
1
/
9
0
323
OR4P4_HUMAN
13
40%
0.212
PF00001
54 -
(0)
?
- / - / -
0
324
O2AK2_HUMAN
13
30%
0.170
PF00001
39 -
(0)
?
- / - / -
0
325
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
326
OR2T1_HUMAN
13
63%
0.307
PF00001
35 -
(0)
?
- / - / -
0
327
OR5G3_HUMAN
13
35%
0.305
PF00001
27 -
(0)
?
- / - / -
0
328
OR8K1_HUMAN
13
31%
0.300
PF00001
33 -
(0)
?
- / - / -
0
329
O56B2_HUMAN
13
50%
0.262
PF00001
53 -
(0)
?
- / - / -
0
330
OR8J3_HUMAN
13
32%
0.288
PF00001
29 -
(0)
?
- / - / -
0
331
V2R_HUMAN
13
93%
0.307
PF10413
72 -
(0)
?
- / - / -
0
332
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
333
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
334
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
335
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
336
OR8BC_HUMAN
13
33%
0.175
PF00001
34 -
(0)
?
- / - / -
0
337
PD2R_HUMAN
13
29%
0.349
PF00001
28 -
(0)
?
- / - / -
0
338
OR5C1_HUMAN
13
31%
0.302
PF00001
24 -
(0)
?
- / - / -
0
339
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
340
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
341
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
342
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
343
OR5K2_HUMAN
13
48%
0.243
PF00001
34 -
(0)
?
- / - / -
0
344
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
345
O10R2_HUMAN
12
33%
0.278
PF00001
25 -
(0)
?
- / - / -
0
346
GP153_HUMAN
12
42%
0.299
PF00001
36 -
(0)
?
- / - / -
0
347
O52L2_HUMAN
12
28%
0.256
PF00001
42 -
(0)
?
- / - / -
0
348
MRGX1_HUMAN
12
35%
0.214
PF00001
36 -
(0)
?
- / - / -
0
349
O51V1_HUMAN
12
39%
0.225
PF00001
40 -
(0)
?
- / - / -
0
350
O10H1_HUMAN
12
37%
0.267
PF00001
50 -
(0)
?
- / - / -
0
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