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]
150
OR2M5_HUMAN
2
47%
0.271
PF00001
28 -
(0)
?
- / - / -
0
151
CXCR6_HUMAN
20
47%
0.284
PF00001
73 -
(0)
?
- / - / -
0
152
OPSX_HUMAN
20
47%
0.301
PF10413
70 -
(0)
?
- / - / -
0
153
SSR1_HUMAN
20
47%
0.384
PF00001
C5_S1
75 -
(0)
1
- / - /
1
0
154
O14K1_HUMAN
5
47%
0.284
PF00001
69 -
(0)
?
- / - / -
0
155
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
156
SSR4_HUMAN
20
47%
0.414
PF00001
C6_S1
223 -
(0)
5
- / - /
4
0
157
AGRF4_HUMAN
5
47%
0.142
PF00001
8 -
(0)
?
- / - / -
0
158
O6C76_HUMAN
4
47%
0.252
PF00001
30 -
(0)
?
- / - / -
0
159
OR2G2_HUMAN
11
47%
0.247
PF00001
31 -
(0)
?
- / - / -
0
160
5HT2C_HUMAN
36
47%
0.356
PF00001
C4_S1
220 -
(0)
8
- /
1
/
16
0
161
GP142_HUMAN
8
46%
0.283
PF00001
36 -
(0)
?
- / - / -
0
162
AGRA3_HUMAN
16
46%
0.387
PF01462
21 -
(0)
?
- / - / -
0
163
OR4A4_HUMAN
6
46%
0.243
PF10413
28 -
(0)
?
- / - / -
0
164
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
165
5HT1F_HUMAN
20
46%
0.342
PF00001
161 -
(0)
?
- / - / -
0
166
OR5T1_HUMAN
12
46%
0.261
PF00001
30 -
(0)
?
- / - / -
0
167
OR4CC_HUMAN
12
46%
0.260
PF00001
30 -
(0)
?
- / - / -
0
168
OR6K2_HUMAN
9
46%
0.215
PF00001
34 -
(0)
?
- / - / -
0
169
VIPR2_HUMAN
9
46%
0.350
PF00001
15 -
(0)
1
- / - / -
0
170
OR3A3_HUMAN
12
46%
0.235
PF00001
47 -
(0)
?
- / - / -
0
171
O10X1_HUMAN
11
46%
0.272
PF00001
35 -
(0)
?
- / - / -
0
172
CCR3_HUMAN
20
46%
0.356
PF00001
C3_S1
63 -
(0)
2
- / - /
1
0
173
OR1S2_HUMAN
9
46%
0.226
PF00001
41 -
(0)
?
- / - / -
0
174
O10AG_HUMAN
4
46%
?
PF10413
30 -
(0)
?
- / - / -
0
175
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
176
ACTHR_HUMAN
20
46%
0.345
PF00001
82 -
(0)
2
- / - / -
0
177
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
178
OR1L3_HUMAN
3
46%
0.303
PF00001
81 -
(0)
?
- / - / -
0
179
P2Y14_HUMAN
15
46%
0.262
PF00001
60 -
(0)
?
- / - / -
0
180
OR4X1_HUMAN
5
46%
0.234
PF00001
73 -
(0)
?
- / - / -
0
181
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
182
O51H1_HUMAN
12
45%
0.164
PF00001
42 -
(0)
?
- / - / -
0
183
OR2T3_HUMAN
4
45%
0.357
PF00001
44 -
(0)
?
- / - / -
0
184
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
185
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
186
O13C5_HUMAN
2
45%
0.187
PF10413
44 -
(0)
?
- / - / -
0
187
CCR6_HUMAN
20
45%
0.235
PF00001
57 -
(0)
?
- / - / -
0
188
O10G8_HUMAN
12
45%
0.217
PF00001
32 -
(0)
?
- / - / -
0
189
O2T29_HUMAN
7
45%
0.214
PF00001
65 -
(0)
?
- / - / -
0
190
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
191
OR2T5_HUMAN
7
45%
0.214
PF00001
51 -
(0)
?
- / - / -
0
192
PAR3_HUMAN
20
45%
0.234
PF00001
55 -
(0)
?
- / - / -
0
193
OR2A1_HUMAN
10
44%
0.322
PF00001
42 -
(0)
?
- / - / -
0
194
O2AG1_HUMAN
3
44%
0.271
PF10413
31 -
(0)
?
- / - / -
0
195
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
196
OR2H1_HUMAN
2
44%
0.235
PF10413
59 -
(0)
?
- / - / -
0
197
CXCR3_HUMAN
20
44%
0.187
PF00001
C4_S1
74 -
(0)
3
- / - /
3
0
198
OR2S1_HUMAN
3
44%
0.216
PF00001
81 -
(0)
?
- / - / -
0
199
SSR2_HUMAN
23
44%
0.317
PF00001
203 -
(0)
4
- / - / -
0
200
AGRE1_HUMAN
6
44%
0.410
PF00084
6 -
(0)
?
- / - / -
0
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