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
DRD4_HUMAN
20
51%
0.232
PF00001
152 -
(0)
?
- / - / -
0
251
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
252
OR1S2_HUMAN
9
46%
0.226
PF00001
41 -
(0)
?
- / - / -
0
253
OR9G1_HUMAN
4
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
254
OR2B6_HUMAN
5
27%
0.255
PF10413
37 -
(0)
?
- / - / -
0
255
APJ_HUMAN
20
33%
0.135
PF00001
55 -
(0)
?
- / - / -
0
256
AGRF5_HUMAN
16
34%
0.252
PF07686
20 -
(0)
?
- / - / -
0
257
O2AG2_HUMAN
5
42%
0.225
PF00001
42 -
(0)
?
- / - / -
0
258
S1PR3_HUMAN
20
57%
0.338
PF00001
C1_S1
34 -
(0)
?
- /
1
/ -
0
259
AGRA3_HUMAN
16
46%
0.387
PF01462
21 -
(0)
?
- / - / -
0
260
OR1N2_HUMAN
7
33%
0.282
PF00001
38 -
(0)
?
- / - / -
0
261
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
262
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
263
PAR2_HUMAN
18
36%
0.249
PF00001
59 -
(0)
?
- / - / -
0
264
OR8H2_HUMAN
7
33%
0.364
PF00001
44 -
(0)
?
- / - / -
0
265
OR4KD_HUMAN
2
33%
0.292
PF10413
55 -
(0)
?
- / - / -
0
266
OR8U1_HUMAN
10
39%
0.355
PF00001
45 -
(0)
?
- / - / -
0
267
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
268
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
269
OPN4_HUMAN
20
42%
0.404
PF10413
81 -
(0)
?
- / - / -
0
270
O2T27_HUMAN
6
31%
0.297
PF00001
40 -
(0)
?
- / - / -
0
271
O12D2_HUMAN
10
32%
0.303
PF00001
34 -
(0)
?
- / - / -
0
272
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
273
O10G7_HUMAN
7
34%
0.269
PF00001
42 -
(0)
?
- / - / -
0
274
GP161_HUMAN
20
32%
0.336
PF00001
111 -
(0)
?
- / - / -
0
275
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
276
CRFR2_HUMAN
13
100%
0.442
PF02793
C4_S1
22 -
(0)
?
- /
1
/
9
0
277
OR8K1_HUMAN
13
31%
0.300
PF00001
33 -
(0)
?
- / - / -
0
278
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
279
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
280
MRGRD_HUMAN
14
40%
0.212
PF00001
36 -
(0)
?
- / - / -
0
281
OR3A4_HUMAN
14
31%
0.240
PF00001
36 -
(0)
?
- / - / -
0
282
OR1C1_HUMAN
6
33%
0.189
PF00001
37 -
(0)
?
- / - / -
0
283
OR5MA_HUMAN
0
31%
0.343
PF00001
69 -
(0)
?
- / - / -
0
284
GLP2R_HUMAN
7
51%
0.298
PF00001
20 -
(0)
?
- / - / -
0
285
T2R43_HUMAN
5
25%
0.272
PF00001
20 -
(0)
?
- / - / -
0
286
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
287
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
288
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
289
GPR85_HUMAN
10
38%
0.235
PF00001
88 -
(0)
?
- / - / -
0
290
OR5MB_HUMAN
5
32%
0.261
PF00001
38 -
(0)
?
- / - / -
0
291
O4A15_HUMAN
13
32%
0.304
PF00001
38 -
(0)
?
- / - / -
0
292
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
293
OR4KE_HUMAN
2
61%
0.286
PF10413
42 -
(0)
?
- / - / -
0
294
AGRE3_HUMAN
7
51%
0.501
PF00089
0 -
(0)
?
- / - / -
0
295
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
296
O52E4_HUMAN
7
33%
0.271
PF00001
45 -
(0)
?
- / - / -
0
297
NPY5R_HUMAN
9
23%
0.202
PF00001
19 -
(0)
?
- / - / -
0
298
GPR27_HUMAN
7
32%
0.210
PF10413
80 -
(0)
?
- / - / -
0
299
OR5C1_HUMAN
13
31%
0.302
PF00001
24 -
(0)
?
- / - / -
0
300
O6C76_HUMAN
4
47%
0.252
PF00001
30 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
/ 17
>>
- Show
50
100
250
500
All