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
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
201
GPR87_HUMAN
20
40%
0.263
PF12109
42 -
(0)
?
- / - / -
0
202
O13G1_HUMAN
10
35%
0.245
PF10413
43 -
(0)
?
- / - / -
0
203
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
204
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
205
O10AC_HUMAN
10
31%
0.322
PF00001
16 -
(0)
?
- / - / -
0
206
O10A4_HUMAN
6
27%
0.321
PF00001
70 -
(0)
?
- / - / -
0
207
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
208
XCR1_HUMAN
20
35%
0.313
PF00001
56 -
(0)
?
- / - / -
0
209
RL3R1_HUMAN
19
36%
0.243
PF00001
58 -
(0)
?
- / - / -
0
210
VNRL4_HUMAN
11
35%
0.145
PF00001
8 -
(0)
?
- / - / -
0
211
OXGR1_HUMAN
20
37%
0.301
PF00001
52 -
(0)
?
- / - / -
0
212
AGRG3_HUMAN
7
30%
0.103
PF00001
10 -
(0)
?
- / - / -
0
213
O10A3_HUMAN
6
27%
0.271
PF00001
34 -
(0)
?
- / - / -
0
214
OR6T1_HUMAN
7
50%
0.315
PF00001
39 -
(0)
?
- / - / -
0
215
OR4K2_HUMAN
14
32%
0.247
PF00001
46 -
(0)
?
- / - / -
0
216
S1PR3_HUMAN
20
57%
0.338
PF00001
C1_S1
34 -
(0)
?
- /
1
/ -
0
217
OR8J1_HUMAN
13
30%
0.266
PF00001
35 -
(0)
?
- / - / -
0
218
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
219
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
220
O13C8_HUMAN
4
40%
0.160
PF10413
62 -
(0)
?
- / - / -
0
221
OR6Y1_HUMAN
6
40%
0.341
PF00001
54 -
(0)
?
- / - / -
0
222
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
223
OR1G1_HUMAN
7
30%
0.239
PF00001
35 -
(0)
?
- / - / -
0
224
OR4K5_HUMAN
6
31%
0.230
PF00001
50 -
(0)
?
- / - / -
0
225
O5AK3_HUMAN
9
28%
0.271
PF00001
35 -
(0)
?
- / - / -
0
226
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
227
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
228
OR4D1_HUMAN
3
32%
0.302
PF00001
28 -
(0)
?
- / - / -
0
229
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
230
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
231
OR7G3_HUMAN
8
36%
0.304
PF00001
47 -
(0)
?
- / - / -
0
232
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
233
GP183_HUMAN
20
33%
0.263
PF00001
51 -
(0)
?
- / - / -
0
234
VN1R2_HUMAN
11
35%
0.189
PF00001
12 -
(0)
?
- / - / -
0
235
OR5MA_HUMAN
0
31%
0.343
PF00001
69 -
(0)
?
- / - / -
0
236
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
237
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
238
T2R14_HUMAN
11
30%
0.194
PF00001
13 -
(0)
?
- / - / -
0
239
FFAR1_HUMAN
13
98%
0.366
PF10413
80 -
(0)
?
- / - / -
0
240
O2AK2_HUMAN
13
30%
0.170
PF00001
39 -
(0)
?
- / - / -
0
241
AGRE1_HUMAN
6
44%
0.410
PF00084
6 -
(0)
?
- / - / -
0
242
OR3A1_HUMAN
11
30%
0.264
PF00001
48 -
(0)
?
- / - / -
0
243
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
244
PTH1R_HUMAN
1
42%
0.514
PF02793
16 -
(0)
?
- / - / -
0
245
NPSR1_HUMAN
20
33%
0.150
PF00001
77 -
(0)
?
- / - / -
0
246
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
247
OR6J1_HUMAN
12
31%
0.264
PF00001
43 -
(0)
?
- / - / -
0
248
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
249
GP160_HUMAN
11
17%
0.300
PF00001
17 -
(0)
?
- / - / -
0
250
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
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