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]
250
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
251
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
252
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
253
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
254
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
255
GPR55_HUMAN
14
33%
0.271
PF00001
36 -
(0)
?
- / - / -
0
256
EDNRA_HUMAN
14
31%
0.237
PF00001
42 -
(0)
?
- / - / -
0
257
MRGRD_HUMAN
14
40%
0.212
PF00001
36 -
(0)
?
- / - / -
0
258
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
259
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
260
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
261
C5AR2_HUMAN
14
35%
0.285
PF12109
43 -
(0)
?
- / - / -
0
262
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
263
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
264
OR3A4_HUMAN
14
31%
0.240
PF00001
36 -
(0)
?
- / - / -
0
265
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
266
OR2D2_HUMAN
14
31%
0.293
PF00001
35 -
(0)
?
- / - / -
0
267
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
268
OR4K2_HUMAN
14
32%
0.247
PF00001
46 -
(0)
?
- / - / -
0
269
GPBAR_HUMAN
14
31%
0.359
PF10413
17 -
(0)
?
- / - / -
0
270
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
271
OR4DB_HUMAN
13
28%
0.252
PF00001
27 -
(0)
?
- / - / -
0
272
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
273
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
274
FZD7_HUMAN
13
56%
0.467
PF01392
13 -
(0)
?
- / - / -
0
275
OR5P2_HUMAN
13
29%
0.288
PF00001
28 -
(0)
?
- / - / -
0
276
OR9I1_HUMAN
13
55%
0.284
PF00001
32 -
(0)
?
- / - / -
0
277
OR2T1_HUMAN
13
63%
0.307
PF00001
35 -
(0)
?
- / - / -
0
278
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
279
FFAR1_HUMAN
13
98%
0.366
PF10413
80 -
(0)
?
- / - / -
0
280
OR5H2_HUMAN
13
57%
0.345
PF10413
24 -
(0)
?
- / - / -
0
281
O5AS1_HUMAN
13
40%
0.224
PF00001
28 -
(0)
?
- / - / -
0
282
OR4C5_HUMAN
13
19%
0.270
PF00001
13 -
(0)
?
- / - / -
0
283
OR8J2_HUMAN
13
30%
0.342
PF00001
34 -
(0)
?
- / - / -
0
284
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
285
OR5C1_HUMAN
13
31%
0.302
PF00001
24 -
(0)
?
- / - / -
0
286
PD2R_HUMAN
13
29%
0.349
PF00001
28 -
(0)
?
- / - / -
0
287
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
288
OR8J3_HUMAN
13
32%
0.288
PF00001
29 -
(0)
?
- / - / -
0
289
OR9K2_HUMAN
13
36%
0.371
PF00001
39 -
(0)
?
- / - / -
0
290
OR4P4_HUMAN
13
40%
0.212
PF00001
54 -
(0)
?
- / - / -
0
291
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
292
OR5V1_HUMAN
13
40%
0.292
PF00001
28 -
(0)
?
- / - / -
0
293
OR5DI_HUMAN
13
40%
0.296
PF00001
29 -
(0)
?
- / - / -
0
294
O51B4_HUMAN
13
37%
0.277
PF00001
50 -
(0)
?
- / - / -
0
295
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
296
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
297
OR1I1_HUMAN
13
37%
0.301
PF00001
55 -
(0)
?
- / - / -
0
298
PE2R1_HUMAN
13
34%
0.348
PF00001
41 -
(0)
?
- / - / -
0
299
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
300
O51D1_HUMAN
13
29%
0.191
PF00001
40 -
(0)
?
- / - / -
0
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