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
OR4S1_HUMAN
7
56%
0.219
PF00001
46 -
(0)
?
- / - / -
0
151
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
152
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
153
DRD4_HUMAN
20
51%
0.232
PF00001
152 -
(0)
?
- / - / -
0
154
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
155
OR4D6_HUMAN
6
31%
0.257
PF00001
39 -
(0)
?
- / - / -
0
156
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
157
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
158
GP149_HUMAN
11
40%
0.296
PF02162
22 -
(0)
?
- / - / -
0
159
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
160
O51L1_HUMAN
11
32%
0.273
PF00001
50 -
(0)
?
- / - / -
0
161
O10A4_HUMAN
6
27%
0.321
PF00001
70 -
(0)
?
- / - / -
0
162
OR5P2_HUMAN
13
29%
0.288
PF00001
28 -
(0)
?
- / - / -
0
163
PACR_HUMAN
10
44%
0.214
PF00001
12 -
(0)
?
- / - / -
0
164
MAS1L_HUMAN
12
32%
0.281
PF00001
18 -
(0)
?
- / - / -
0
165
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
166
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
167
OR9I1_HUMAN
13
55%
0.284
PF00001
32 -
(0)
?
- / - / -
0
168
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
169
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
170
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
171
O2AG1_HUMAN
3
44%
0.271
PF10413
31 -
(0)
?
- / - / -
0
172
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
173
OR6Y1_HUMAN
6
40%
0.341
PF00001
54 -
(0)
?
- / - / -
0
174
OR1J1_HUMAN
6
37%
0.222
PF00001
46 -
(0)
?
- / - / -
0
175
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
176
OR5T1_HUMAN
12
46%
0.261
PF00001
30 -
(0)
?
- / - / -
0
177
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
178
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
179
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
180
LPAR2_HUMAN
20
56%
0.272
PF00001
43 -
(0)
?
- / - / -
0
181
O2T27_HUMAN
6
31%
0.297
PF00001
40 -
(0)
?
- / - / -
0
182
GABR2_HUMAN
20
100%
0.488
PF07562
48 -
(0)
?
- / - / -
0
183
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
184
ADA2B_HUMAN
20
53%
0.368
PF00001
114 -
(0)
?
- / - / -
0
185
OR8H1_HUMAN
9
63%
0.330
PF00001
33 -
(0)
?
- / - / -
0
186
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
187
OR2H2_HUMAN
5
50%
0.265
PF10413
40 -
(0)
?
- / - / -
0
188
OR2S1_HUMAN
3
44%
0.216
PF00001
81 -
(0)
?
- / - / -
0
189
OR1N2_HUMAN
7
33%
0.282
PF00001
38 -
(0)
?
- / - / -
0
190
S1PR2_HUMAN
20
54%
0.257
PF00001
C3_S1
38 -
(0)
?
- / - /
1
0
191
V1AR_HUMAN
19
35%
0.241
PF00001
45 -
(0)
?
- / - / -
0
192
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
193
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
194
AGRL2_HUMAN
20
86%
0.526
PF02140
C1_S1
13 -
(0)
1
1
/ - /
3
0
195
S1PR3_HUMAN
20
57%
0.338
PF00001
C1_S1
34 -
(0)
?
- /
1
/ -
0
196
O12D2_HUMAN
10
32%
0.303
PF00001
34 -
(0)
?
- / - / -
0
197
O52N2_HUMAN
10
31%
0.241
PF00001
117 -
(0)
?
- / - / -
0
198
GPR31_HUMAN
20
34%
0.329
PF10413
42 -
(0)
?
- / - / -
0
199
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
200
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
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