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
O13J1_HUMAN
9
44%
0.279
PF00001
41 -
(0)
?
- / - / -
0
201
CXCR3_HUMAN
20
44%
0.187
PF00001
C4_S1
74 -
(0)
3
- / - /
3
0
202
PACR_HUMAN
10
44%
0.214
PF00001
12 -
(0)
?
- / - / -
0
203
OR2K2_HUMAN
7
44%
0.297
PF10413
28 -
(0)
?
- / - / -
0
204
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
205
OR2H1_HUMAN
2
44%
0.235
PF10413
59 -
(0)
?
- / - / -
0
206
O12D3_HUMAN
6
43%
0.288
PF00001
31 -
(0)
?
- / - / -
0
207
AA3R_HUMAN
20
43%
0.351
PF00001
C2_S1
71 -
(0)
1
- / - /
1
0
208
OR2W1_HUMAN
4
43%
0.269
PF10413
48 -
(0)
?
- / - / -
0
209
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
210
PTAFR_HUMAN
16
43%
0.190
PF00001
65 -
(0)
1
- / - / -
0
211
O51I1_HUMAN
12
43%
0.215
PF00001
53 -
(0)
?
- / - / -
0
212
OR9Q1_HUMAN
4
43%
0.290
PF10413
36 -
(0)
?
- / - / -
0
213
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
214
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
215
O51B6_HUMAN
4
43%
0.236
PF00001
50 -
(0)
?
- / - / -
0
216
SSR3_HUMAN
20
43%
0.398
PF00001
43 -
(0)
?
- / - / -
0
217
O2AP1_HUMAN
3
43%
0.335
PF00001
41 -
(0)
?
- / - / -
0
218
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
219
GALR2_HUMAN
20
43%
0.320
PF00001
92 -
(0)
?
- / - / -
0
220
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
221
MRGRG_HUMAN
11
43%
0.133
PF00001
41 -
(0)
?
- / - / -
0
222
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
223
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
224
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
225
O52H1_HUMAN
12
43%
0.177
PF00001
31 -
(0)
?
- / - / -
0
226
OPSG_HUMAN
21
43%
0.404
PF10413
C10_S1
23 -
(0)
5
- / - /
4
0
227
OPSR_HUMAN
21
42%
0.370
PF10413
C10_S1
24 -
(0)
5
- / - /
3
0
228
OR4A8_HUMAN
12
42%
0.274
PF10413
50 -
(0)
?
- / - / -
0
229
PTH1R_HUMAN
1
42%
0.514
PF02793
16 -
(0)
?
- / - / -
0
230
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
231
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
232
ACKR3_HUMAN
19
42%
0.269
PF00001
62 -
(0)
?
- / - / -
0
233
PTH2R_HUMAN
8
42%
0.211
PF00001
C4_S1
13 -
(0)
2
- / - /
1
0
234
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
235
O13D1_HUMAN
3
42%
0.263
PF10413
25 -
(0)
?
- / - / -
0
236
VIPR1_HUMAN
5
42%
0.296
PF02793
14 -
(0)
?
- / - / -
0
237
NPBW2_HUMAN
20
42%
0.290
PF00001
78 -
(0)
?
- / - / -
0
238
OR5B3_HUMAN
9
42%
0.369
PF00001
33 -
(0)
?
- / - / -
0
239
ADA2C_HUMAN
20
42%
0.239
PF00001
97 -
(0)
?
- / - / -
0
240
O6C65_HUMAN
7
42%
0.270
PF00001
51 -
(0)
?
- / - / -
0
241
OPN4_HUMAN
20
42%
0.404
PF10413
81 -
(0)
?
- / - / -
0
242
P2RY4_HUMAN
20
42%
0.239
PF00001
50 -
(0)
?
- / - / -
0
243
O2AG2_HUMAN
5
42%
0.225
PF00001
42 -
(0)
?
- / - / -
0
244
GP153_HUMAN
12
42%
0.299
PF00001
36 -
(0)
?
- / - / -
0
245
MTLR_HUMAN
20
42%
0.355
PF00001
133 -
(0)
?
- / - / -
0
246
OR4A5_HUMAN
12
42%
0.282
PF00001
50 -
(0)
?
- / - / -
0
247
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
248
ADA2A_HUMAN
20
42%
0.320
PF00001
136 -
(0)
?
- / - / -
0
249
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
250
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
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