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
P2RY4_HUMAN
20
42%
0.239
PF00001
50 -
(0)
?
- / - / -
0
251
OR2H2_HUMAN
5
50%
0.265
PF10413
40 -
(0)
?
- / - / -
0
252
O10A3_HUMAN
6
27%
0.271
PF00001
34 -
(0)
?
- / - / -
0
253
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
254
OR1E3_HUMAN
8
31%
0.287
PF00001
42 -
(0)
?
- / - / -
0
255
T2R10_HUMAN
11
29%
0.224
PF00001
13 -
(0)
?
- / - / -
0
256
ACM3_HUMAN
20
98%
0.237
PF00001
83 -
(0)
?
- / - / -
0
257
GPR32_HUMAN
18
32%
0.305
PF00001
48 -
(0)
?
- / - / -
0
258
O11H1_HUMAN
6
41%
0.298
PF00001
45 -
(0)
?
- / - / -
0
259
DRD3_HUMAN
12
100%
0.299
PF00001
126 -
(0)
?
- / - / -
0
260
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
261
LSHR_HUMAN
6
22%
0.297
PF10413
23 -
(0)
?
- / - / -
0
262
OR4KH_HUMAN
3
40%
0.257
PF10413
34 -
(0)
?
- / - / -
0
263
ADA1D_HUMAN
20
39%
0.245
PF00001
235 -
(0)
1
- / - / -
0
264
O2AT4_HUMAN
5
30%
0.338
PF00001
40 -
(0)
?
- / - / -
0
265
OR1S2_HUMAN
9
46%
0.226
PF00001
41 -
(0)
?
- / - / -
0
266
O10A7_HUMAN
7
28%
0.288
PF00001
32 -
(0)
?
- / - / -
0
267
GP156_HUMAN
0
23%
0.241
PF07412
7 -
(0)
?
- / - / -
0
268
OR8D4_HUMAN
12
29%
0.343
PF00001
25 -
(0)
?
- / - / -
0
269
NPY2R_HUMAN
20
38%
0.347
PF00001
82 -
(0)
1
- / - / -
0
270
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
271
OR6B3_HUMAN
13
70%
0.296
PF00001
36 -
(0)
?
- / - / -
0
272
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
273
O52Z1_HUMAN
11
33%
0.218
PF00001
46 -
(0)
?
- / - / -
0
274
FFAR4_HUMAN
6
33%
0.268
PF10413
48 -
(0)
?
- / - / -
0
275
PD2R2_HUMAN
18
32%
0.327
PF00001
65 -
(0)
?
- / - / -
0
276
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
277
GPR52_HUMAN
20
37%
0.293
PF00001
110 -
(0)
?
- / - / -
0
278
NPFF1_HUMAN
20
36%
0.321
PF00001
62 -
(0)
?
- / - / -
0
279
ADA2A_HUMAN
20
42%
0.320
PF00001
136 -
(0)
?
- / - / -
0
280
GNRHR_HUMAN
4
40%
0.251
PF00001
68 -
(0)
?
- / - / -
0
281
O14J1_HUMAN
5
32%
0.297
PF00001
37 -
(0)
?
- / - / -
0
282
GALR2_HUMAN
20
43%
0.320
PF00001
92 -
(0)
?
- / - / -
0
283
OR6K6_HUMAN
12
59%
0.328
PF00001
31 -
(0)
?
- / - / -
0
284
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
285
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
286
O10K1_HUMAN
7
36%
0.291
PF00001
34 -
(0)
?
- / - / -
0
287
OPN3_HUMAN
20
32%
0.282
PF10413
80 -
(0)
1
- / - / -
0
288
O6C74_HUMAN
3
40%
0.279
PF00001
32 -
(0)
?
- / - / -
0
289
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
290
O51B6_HUMAN
4
43%
0.236
PF00001
50 -
(0)
?
- / - / -
0
291
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
292
OR8K5_HUMAN
11
66%
0.188
PF00001
41 -
(0)
?
- / - / -
0
293
T2R19_HUMAN
11
19%
0.230
PF00001
11 -
(0)
?
- / - / -
0
294
OR6M1_HUMAN
6
30%
0.304
PF00001
39 -
(0)
?
- / - / -
0
295
CML1_HUMAN
19
34%
0.209
PF00001
49 -
(0)
?
- / - / -
0
296
GP143_HUMAN
12
21%
0.286
PF00001
14 -
(0)
?
- / - / -
0
297
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
298
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
299
OR6Q1_HUMAN
9
59%
0.289
PF00001
44 -
(0)
?
- / - / -
0
300
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
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