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
OR7G2_HUMAN
5
32%
0.314
PF00001
46 -
(0)
?
- / - / -
0
251
OR8D4_HUMAN
12
29%
0.343
PF00001
25 -
(0)
?
- / - / -
0
252
O10R2_HUMAN
12
33%
0.278
PF00001
25 -
(0)
?
- / - / -
0
253
OR4F4_HUMAN
7
36%
0.182
PF00001
34 -
(0)
?
- / - / -
0
254
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
255
OR7A2_HUMAN
8
35%
0.232
PF00001
33 -
(0)
?
- / - / -
0
256
SUCR1_HUMAN
20
37%
0.253
PF00001
49 -
(0)
?
- / - / -
0
257
GPR62_HUMAN
10
39%
0.361
PF00001
40 -
(0)
?
- / - / -
0
258
OR1I1_HUMAN
13
37%
0.301
PF00001
55 -
(0)
?
- / - / -
0
259
OR2J3_HUMAN
7
35%
0.219
PF00001
34 -
(0)
?
- / - / -
0
260
OR5G3_HUMAN
13
35%
0.305
PF00001
27 -
(0)
?
- / - / -
0
261
OR5I1_HUMAN
12
40%
0.241
PF00001
38 -
(0)
?
- / - / -
0
262
CCR10_HUMAN
20
38%
0.369
PF00001
65 -
(0)
?
- / - / -
0
263
OR1J1_HUMAN
6
37%
0.222
PF00001
46 -
(0)
?
- / - / -
0
264
OR5B3_HUMAN
9
42%
0.369
PF00001
33 -
(0)
?
- / - / -
0
265
OR7G1_HUMAN
5
38%
0.205
PF00001
46 -
(0)
?
- / - / -
0
266
EDNRA_HUMAN
14
31%
0.237
PF00001
42 -
(0)
?
- / - / -
0
267
LT4R1_HUMAN
20
31%
0.313
PF00001
60 -
(0)
?
- / - / -
0
268
CXCR6_HUMAN
20
47%
0.284
PF00001
73 -
(0)
?
- / - / -
0
269
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
270
CXCR2_HUMAN
20
87%
0.267
PF00001
71 -
(0)
1
- / - / -
0
271
OPRK_HUMAN
20
98%
0.361
PF00001
C2_S1
57 -
(0)
4
- /
3
/
5
2
272
OR4E1_HUMAN
11
31%
0.266
PF00001
34 -
(0)
?
- / - / -
0
273
OR6B3_HUMAN
13
70%
0.296
PF00001
36 -
(0)
?
- / - / -
0
274
CCR9_HUMAN
20
40%
0.309
PF00001
C4_S1
72 -
(0)
4
- / - /
1
0
275
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
276
CX3C1_HUMAN
20
38%
0.310
PF00001
57 -
(0)
?
- / - / -
0
277
CXCR1_HUMAN
20
100%
0.227
PF00001
69 -
(0)
2
- / - / -
0
278
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
279
GPR1_HUMAN
20
41%
0.283
PF00001
C4_S1
58 -
(0)
2
- / - /
2
0
280
ACKR4_HUMAN
20
36%
0.209
PF00001
72 -
(0)
1
- / - / -
0
281
NPBW2_HUMAN
20
42%
0.290
PF00001
78 -
(0)
?
- / - / -
0
282
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
283
O5AK3_HUMAN
9
28%
0.271
PF00001
35 -
(0)
?
- / - / -
0
284
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
285
O12D2_HUMAN
10
32%
0.303
PF00001
34 -
(0)
?
- / - / -
0
286
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
287
OR2T4_HUMAN
5
39%
0.216
PF00001
36 -
(0)
?
- / - / -
0
288
OR3A1_HUMAN
11
30%
0.264
PF00001
48 -
(0)
?
- / - / -
0
289
OR5M1_HUMAN
7
32%
0.343
PF00001
33 -
(0)
?
- / - / -
0
290
OR83P_HUMAN
11
37%
0.335
PF00001
32 -
(0)
?
- / - / -
0
291
O10Z1_HUMAN
9
59%
0.265
PF00001
40 -
(0)
?
- / - / -
0
292
OR1D4_HUMAN
7
38%
0.348
PF00001
56 -
(0)
?
- / - / -
0
293
OR1N2_HUMAN
7
33%
0.282
PF00001
38 -
(0)
?
- / - / -
0
294
OR4D6_HUMAN
6
31%
0.257
PF00001
39 -
(0)
?
- / - / -
0
295
OR5P3_HUMAN
12
31%
0.236
PF00001
32 -
(0)
?
- / - / -
0
296
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
297
OR6Y1_HUMAN
6
40%
0.341
PF00001
54 -
(0)
?
- / - / -
0
298
OR9A1_HUMAN
11
41%
0.163
PF00001
54 -
(0)
?
- / - / -
0
299
O13H1_HUMAN
5
35%
0.285
PF00001
42 -
(0)
?
- / - / -
0
300
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
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