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
LPAR5_HUMAN
20
32%
0.313
PF00001
58 -
(0)
?
- / - / -
0
251
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
252
XCR1_HUMAN
20
35%
0.313
PF00001
56 -
(0)
?
- / - / -
0
253
LT4R1_HUMAN
20
31%
0.313
PF00001
60 -
(0)
?
- / - / -
0
254
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
255
OR2A5_HUMAN
7
36%
0.313
PF00001
48 -
(0)
?
- / - / -
0
256
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
257
OR5A2_HUMAN
13
33%
0.313
PF00001
20 -
(0)
?
- / - / -
0
258
O11L1_HUMAN
1
53%
0.312
PF00001
74 -
(0)
?
- / - / -
0
259
GP148_HUMAN
12
26%
0.311
PF00001
65 -
(0)
?
- / - / -
0
260
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
261
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
262
OR5K3_HUMAN
9
37%
0.311
PF00001
48 -
(0)
?
- / - / -
0
263
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
264
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
265
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
266
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
267
OR4N5_HUMAN
3
25%
0.310
PF10413
33 -
(0)
?
- / - / -
0
268
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
269
CX3C1_HUMAN
20
38%
0.310
PF00001
57 -
(0)
?
- / - / -
0
270
CCR9_HUMAN
20
40%
0.309
PF00001
C4_S1
72 -
(0)
4
- / - /
1
0
271
TRFR_HUMAN
20
40%
0.309
PF00001
C2_S1
149 -
(0)
5
- / - /
2
0
272
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
273
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
274
V2R_HUMAN
13
93%
0.307
PF10413
72 -
(0)
?
- / - / -
0
275
OR2T1_HUMAN
13
63%
0.307
PF00001
35 -
(0)
?
- / - / -
0
276
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
277
CCR5_HUMAN
20
85%
0.306
PF00001
C2_S1
54 -
(0)
2
2
/ - / -
1
278
NK2R_HUMAN
20
58%
0.306
PF00001
39 -
(0)
?
- / - / -
0
279
OR5K1_HUMAN
11
29%
0.306
PF00001
26 -
(0)
?
- / - / -
0
280
OR4KF_HUMAN
8
40%
0.306
PF00001
44 -
(0)
?
- / - / -
0
281
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
282
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
283
GPR32_HUMAN
18
32%
0.305
PF00001
48 -
(0)
?
- / - / -
0
284
OR5G3_HUMAN
13
35%
0.305
PF00001
27 -
(0)
?
- / - / -
0
285
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
286
OR9G4_HUMAN
8
52%
0.304
PF00001
59 -
(0)
?
- / - / -
0
287
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
288
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
289
O13C3_HUMAN
9
54%
0.304
PF10413
39 -
(0)
?
- / - / -
0
290
O56B1_HUMAN
12
37%
0.304
PF00001
44 -
(0)
?
- / - / -
0
291
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
292
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
293
OR6M1_HUMAN
6
30%
0.304
PF00001
39 -
(0)
?
- / - / -
0
294
O11A1_HUMAN
0
31%
0.304
PF00001
109 -
(0)
?
- / - / -
0
295
OR7G3_HUMAN
8
36%
0.304
PF00001
47 -
(0)
?
- / - / -
0
296
OR4F6_HUMAN
2
31%
0.303
PF10413
38 -
(0)
?
- / - / -
0
297
O12D2_HUMAN
10
32%
0.303
PF00001
34 -
(0)
?
- / - / -
0
298
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
299
AGTR1_HUMAN
20
37%
0.303
PF00001
79 -
(0)
?
- / - / -
0
300
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
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