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]
200
OR2T2_HUMAN
5
37%
0.328
PF00001
25 -
(0)
?
- / - / -
0
201
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
202
PD2R2_HUMAN
18
32%
0.327
PF00001
65 -
(0)
?
- / - / -
0
203
OR2C1_HUMAN
3
40%
0.327
PF10413
69 -
(0)
?
- / - / -
0
204
T2R39_HUMAN
11
27%
0.326
PF00001
20 -
(0)
?
- / - / -
0
205
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
206
O10K2_HUMAN
7
50%
0.326
PF00001
35 -
(0)
?
- / - / -
0
207
5HT4R_HUMAN
24
40%
0.325
PF00001
C4_S1
263 -
(0)
4
- / - /
4
0
208
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
209
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
210
OR6K3_HUMAN
11
60%
0.324
PF00001
44 -
(0)
?
- / - / -
0
211
RGR_HUMAN
20
31%
0.323
PF10413
56 -
(0)
?
- / - / -
0
212
O10H4_HUMAN
13
32%
0.323
PF00001
36 -
(0)
?
- / - / -
0
213
ADRB3_HUMAN
32
80%
0.322
PF00001
C3_S1
285 -
(0)
10
- / - /
21
0
214
O10H3_HUMAN
12
32%
0.322
PF00001
48 -
(0)
?
- / - / -
0
215
O10AC_HUMAN
10
31%
0.322
PF00001
16 -
(0)
?
- / - / -
0
216
CLTR2_HUMAN
20
31%
0.322
PF00001
49 -
(0)
?
- / - / -
0
217
ADA1B_HUMAN
27
36%
0.322
PF00001
C7_S1
224 -
(0)
7
- / - /
3
0
218
OR2A1_HUMAN
10
44%
0.322
PF00001
42 -
(0)
?
- / - / -
0
219
NPFF1_HUMAN
20
36%
0.321
PF00001
62 -
(0)
?
- / - / -
0
220
GLR_HUMAN
10
99%
0.321
PF00001
C3_S1
16 -
(0)
2
- /
1
/
1
0
221
O2A14_HUMAN
7
33%
0.321
PF00001
62 -
(0)
?
- / - / -
0
222
O13C9_HUMAN
4
31%
0.321
PF10413
61 -
(0)
?
- / - / -
0
223
O10A4_HUMAN
6
27%
0.321
PF00001
70 -
(0)
?
- / - / -
0
224
OR4D5_HUMAN
6
40%
0.321
PF00001
48 -
(0)
?
- / - / -
0
225
S1PR4_HUMAN
19
41%
0.321
PF00001
C5_S1
32 -
(0)
?
- / - /
1
0
226
ADA2A_HUMAN
20
42%
0.320
PF00001
136 -
(0)
?
- / - / -
0
227
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
228
OR5R1_HUMAN
12
28%
0.320
PF00001
52 -
(0)
?
- / - / -
0
229
GALR2_HUMAN
20
43%
0.320
PF00001
92 -
(0)
?
- / - / -
0
230
O52M1_HUMAN
13
56%
0.320
PF00001
54 -
(0)
?
- / - / -
0
231
OR5L1_HUMAN
13
35%
0.319
PF00001
24 -
(0)
?
- / - / -
0
232
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
233
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
234
O10A2_HUMAN
6
32%
0.319
PF00001
44 -
(0)
?
- / - / -
0
235
SMO_HUMAN
16
100%
0.319
PF01392
C1_S1
13 -
(0)
2
1
/ - / -
0
236
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
237
NMUR1_HUMAN
20
39%
0.318
PF00001
60 -
(0)
3
- / - / -
0
238
OR4N2_HUMAN
3
37%
0.318
PF10413
41 -
(0)
?
- / - / -
0
239
SSR2_HUMAN
23
44%
0.317
PF00001
203 -
(0)
4
- / - / -
0
240
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
241
OR2G3_HUMAN
3
38%
0.316
PF10413
68 -
(0)
?
- / - / -
0
242
OR6T1_HUMAN
7
50%
0.315
PF00001
39 -
(0)
?
- / - / -
0
243
OR5H1_HUMAN
13
31%
0.315
PF00001
36 -
(0)
?
- / - / -
0
244
GPR84_HUMAN
12
35%
0.315
PF00001
62 -
(0)
?
- / - / -
0
245
OR5H6_HUMAN
11
38%
0.315
PF00001
31 -
(0)
?
- / - / -
0
246
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
247
TAAR5_HUMAN
20
40%
0.314
PF00001
189 -
(0)
1
- / - / -
0
248
5HT7R_HUMAN
24
38%
0.314
PF00001
C5_S1
230 -
(0)
5
- / - /
2
0
249
OR7G2_HUMAN
5
32%
0.314
PF00001
46 -
(0)
?
- / - / -
0
250
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(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