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
O4F21_HUMAN
4
50%
0.174
PF10413
24 -
(0)
?
- / - / -
0
301
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
302
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
303
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
304
O51A2_HUMAN
7
33%
0.269
PF00001
41 -
(0)
?
- / - / -
0
305
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
306
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
307
OR2M5_HUMAN
2
47%
0.271
PF00001
28 -
(0)
?
- / - / -
0
308
OR2V1_HUMAN
7
31%
0.255
PF00001
33 -
(0)
?
- / - / -
0
309
OR4KD_HUMAN
2
33%
0.292
PF10413
55 -
(0)
?
- / - / -
0
310
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
311
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
312
AGRE3_HUMAN
7
51%
0.501
PF00089
0 -
(0)
?
- / - / -
0
313
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
314
O6C74_HUMAN
3
40%
0.279
PF00001
32 -
(0)
?
- / - / -
0
315
AGRF4_HUMAN
5
47%
0.142
PF00001
8 -
(0)
?
- / - / -
0
316
OR9G4_HUMAN
8
52%
0.304
PF00001
59 -
(0)
?
- / - / -
0
317
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
318
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
319
OR9I1_HUMAN
13
55%
0.284
PF00001
32 -
(0)
?
- / - / -
0
320
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
321
O6C68_HUMAN
3
34%
0.237
PF10413
44 -
(0)
?
- / - / -
0
322
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
323
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
324
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
325
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
326
T2R39_HUMAN
11
27%
0.326
PF00001
20 -
(0)
?
- / - / -
0
327
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
328
O13C9_HUMAN
4
31%
0.321
PF10413
61 -
(0)
?
- / - / -
0
329
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
330
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
331
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
332
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
333
GRPR_HUMAN
20
36%
0.216
PF00001
39 -
(0)
?
- / - / -
0
334
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
335
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
336
FZD7_HUMAN
13
56%
0.467
PF01392
13 -
(0)
?
- / - / -
0
337
GPR84_HUMAN
12
35%
0.315
PF00001
62 -
(0)
?
- / - / -
0
338
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
339
GPR37_HUMAN
11
30%
0.194
PF00001
32 -
(0)
?
- / - / -
0
340
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
341
AGRG4_HUMAN
8
24%
0.331
-
4 -
(0)
?
- / - / -
0
342
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
343
GPC5B_HUMAN
0
22%
0.291
PF00959
11 -
(0)
?
- / - / -
0
344
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
345
EDNRA_HUMAN
14
31%
0.237
PF00001
42 -
(0)
?
- / - / -
0
346
OR4DB_HUMAN
13
28%
0.252
PF00001
27 -
(0)
?
- / - / -
0
347
GASR_HUMAN
13
30%
0.241
PF00001
20 -
(0)
?
- / - / -
0
348
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
349
FPR2_HUMAN
20
35%
0.227
PF00001
58 -
(0)
?
- / - / -
0
350
V1BR_HUMAN
11
29%
0.222
PF00001
76 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
/ 17
>>
- Show
50
100
250
500
All