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
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
151
LPAR5_HUMAN
20
32%
0.313
PF00001
58 -
(0)
?
- / - / -
0
152
OR9K2_HUMAN
13
36%
0.371
PF00001
39 -
(0)
?
- / - / -
0
153
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
154
CLTR2_HUMAN
20
31%
0.322
PF00001
49 -
(0)
?
- / - / -
0
155
FPR3_HUMAN
17
33%
0.228
PF00001
C2_S1
52 -
(0)
1
- / - /
1
0
156
OR4A5_HUMAN
12
42%
0.282
PF00001
50 -
(0)
?
- / - / -
0
157
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
158
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
159
OR2A2_HUMAN
6
39%
0.255
PF00001
45 -
(0)
?
- / - / -
0
160
CCR5_HUMAN
20
85%
0.306
PF00001
C2_S1
54 -
(0)
2
2
/ - / -
1
161
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
162
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
163
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
164
FPR2_HUMAN
20
35%
0.227
PF00001
58 -
(0)
?
- / - / -
0
165
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
166
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
167
CXCR3_HUMAN
20
44%
0.187
PF00001
C4_S1
74 -
(0)
3
- / - /
3
0
168
OR5F1_HUMAN
11
40%
0.355
PF00001
44 -
(0)
?
- / - / -
0
169
S1PR1_HUMAN
20
99%
0.284
PF00001
C2_S1
40 -
(0)
?
- /
1
/ -
0
170
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
171
OR1F2_HUMAN
7
29%
0.302
PF00001
34 -
(0)
?
- / - / -
0
172
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
173
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
174
O10K1_HUMAN
7
36%
0.291
PF00001
34 -
(0)
?
- / - / -
0
175
O12D3_HUMAN
6
43%
0.288
PF00001
31 -
(0)
?
- / - / -
0
176
O13A1_HUMAN
11
38%
0.289
PF00001
43 -
(0)
?
- / - / -
0
177
O2T33_HUMAN
6
27%
0.274
PF00001
41 -
(0)
?
- / - / -
0
178
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
179
OR2J1_HUMAN
6
28%
0.299
PF00001
41 -
(0)
?
- / - / -
0
180
OR2V1_HUMAN
7
31%
0.255
PF00001
33 -
(0)
?
- / - / -
0
181
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
182
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
183
O10A6_HUMAN
5
27%
0.340
PF00001
39 -
(0)
?
- / - / -
0
184
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
185
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
186
O52E2_HUMAN
11
31%
0.270
PF00001
37 -
(0)
?
- / - / -
0
187
O6C75_HUMAN
5
37%
0.296
PF00001
32 -
(0)
?
- / - / -
0
188
OR1A1_HUMAN
5
33%
0.215
PF00001
58 -
(0)
?
- / - / -
0
189
OR1M1_HUMAN
4
35%
0.298
PF00001
39 -
(0)
?
- / - / -
0
190
OR2T8_HUMAN
6
28%
0.253
PF00001
40 -
(0)
?
- / - / -
0
191
OR4CD_HUMAN
10
30%
0.334
PF00001
40 -
(0)
?
- / - / -
0
192
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
193
MRGX2_HUMAN
13
38%
0.182
PF00001
33 -
(0)
?
- / - / -
0
194
O10H1_HUMAN
12
37%
0.267
PF00001
50 -
(0)
?
- / - / -
0
195
O10H3_HUMAN
12
32%
0.322
PF00001
48 -
(0)
?
- / - / -
0
196
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
197
OR3A4_HUMAN
14
31%
0.240
PF00001
36 -
(0)
?
- / - / -
0
198
OR6M1_HUMAN
6
30%
0.304
PF00001
39 -
(0)
?
- / - / -
0
199
O10H5_HUMAN
8
37%
0.276
PF00001
39 -
(0)
?
- / - / -
0
200
O2AJ1_HUMAN
3
58%
0.254
PF00001
32 -
(0)
?
- / - / -
0
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