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]
250
OR6X1_HUMAN
7
29%
0.281
PF00001
53 -
(0)
?
- / - / -
0
251
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
252
O51G2_HUMAN
5
31%
0.162
PF00001
53 -
(0)
?
- / - / -
0
253
OR2W5_HUMAN
10
28%
0.198
PF00001
53 -
(0)
?
- / - / -
0
254
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
255
O56B2_HUMAN
13
50%
0.262
PF00001
53 -
(0)
?
- / - / -
0
256
O10D4_HUMAN
12
33%
0.262
PF00001
53 -
(0)
?
- / - / -
0
257
O52K1_HUMAN
9
33%
0.390
PF00001
53 -
(0)
?
- / - / -
0
258
O51I1_HUMAN
12
43%
0.215
PF00001
53 -
(0)
?
- / - / -
0
259
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
260
FPR3_HUMAN
17
33%
0.228
PF00001
C2_S1
52 -
(0)
1
- / - /
1
0
261
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
262
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
263
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
264
OXGR1_HUMAN
20
37%
0.301
PF00001
52 -
(0)
?
- / - / -
0
265
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
266
OR5R1_HUMAN
12
28%
0.320
PF00001
52 -
(0)
?
- / - / -
0
267
O10S1_HUMAN
13
40%
0.251
PF00001
52 -
(0)
?
- / - / -
0
268
P2RY1_HUMAN
20
97%
0.236
PF00001
C1_S1
52 -
(0)
2
- /
2
/
1
1
269
NK1R_HUMAN
20
100%
0.245
PF00001
52 -
(0)
?
- / - / -
0
270
O6C65_HUMAN
7
42%
0.270
PF00001
51 -
(0)
?
- / - / -
0
271
OR6N1_HUMAN
5
37%
0.405
PF00001
51 -
(0)
?
- / - / -
0
272
O51F1_HUMAN
13
32%
0.255
PF00001
51 -
(0)
?
- / - / -
0
273
GP183_HUMAN
20
33%
0.263
PF00001
51 -
(0)
?
- / - / -
0
274
OR2T5_HUMAN
7
45%
0.214
PF00001
51 -
(0)
?
- / - / -
0
275
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
276
PKR2_HUMAN
20
35%
0.250
PF00001
51 -
(0)
?
- / - / -
0
277
OR1A2_HUMAN
6
31%
0.259
PF00001
51 -
(0)
?
- / - / -
0
278
O51B6_HUMAN
4
43%
0.236
PF00001
50 -
(0)
?
- / - / -
0
279
O51L1_HUMAN
11
32%
0.273
PF00001
50 -
(0)
?
- / - / -
0
280
P2RY4_HUMAN
20
42%
0.239
PF00001
50 -
(0)
?
- / - / -
0
281
OR4A5_HUMAN
12
42%
0.282
PF00001
50 -
(0)
?
- / - / -
0
282
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
283
OR2Z1_HUMAN
5
30%
0.239
PF00001
50 -
(0)
?
- / - / -
0
284
OR4D2_HUMAN
5
27%
0.332
PF00001
50 -
(0)
?
- / - / -
0
285
O52R1_HUMAN
11
28%
0.220
PF00001
50 -
(0)
?
- / - / -
0
286
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
287
O10H1_HUMAN
12
37%
0.267
PF00001
50 -
(0)
?
- / - / -
0
288
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
289
OR2V2_HUMAN
6
30%
0.253
PF00001
50 -
(0)
?
- / - / -
0
290
OR4K5_HUMAN
6
31%
0.230
PF00001
50 -
(0)
?
- / - / -
0
291
OR4A8_HUMAN
12
42%
0.274
PF10413
50 -
(0)
?
- / - / -
0
292
O51B4_HUMAN
13
37%
0.277
PF00001
50 -
(0)
?
- / - / -
0
293
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
294
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
295
GPR3_HUMAN
20
34%
0.292
PF00001
49 -
(0)
?
- / - / -
0
296
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
297
OR2I1_HUMAN
5
37%
0.257
PF10413
49 -
(0)
?
- / - / -
0
298
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
299
CML1_HUMAN
19
34%
0.209
PF00001
49 -
(0)
?
- / - / -
0
300
SUCR1_HUMAN
20
37%
0.253
PF00001
49 -
(0)
?
- / - / -
0
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