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]
300
HRH4_HUMAN
20
50%
0.245
PF00001
49 -
(0)
?
- / - / -
0
301
OR2I1_HUMAN
5
37%
0.257
PF10413
49 -
(0)
?
- / - / -
0
302
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
303
SUCR1_HUMAN
20
37%
0.253
PF00001
49 -
(0)
?
- / - / -
0
304
CLTR2_HUMAN
20
31%
0.322
PF00001
49 -
(0)
?
- / - / -
0
305
GPR32_HUMAN
18
32%
0.305
PF00001
48 -
(0)
?
- / - / -
0
306
FFAR4_HUMAN
6
33%
0.268
PF10413
48 -
(0)
?
- / - / -
0
307
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
308
O51G1_HUMAN
4
33%
0.241
PF10413
48 -
(0)
?
- / - / -
0
309
OR4D5_HUMAN
6
40%
0.321
PF00001
48 -
(0)
?
- / - / -
0
310
OR2W1_HUMAN
4
43%
0.269
PF10413
48 -
(0)
?
- / - / -
0
311
OR3A1_HUMAN
11
30%
0.264
PF00001
48 -
(0)
?
- / - / -
0
312
OR5K3_HUMAN
9
37%
0.311
PF00001
48 -
(0)
?
- / - / -
0
313
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
314
O10H3_HUMAN
12
32%
0.322
PF00001
48 -
(0)
?
- / - / -
0
315
GABR2_HUMAN
20
100%
0.488
PF07562
48 -
(0)
?
- / - / -
0
316
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
317
OR2A5_HUMAN
7
36%
0.313
PF00001
48 -
(0)
?
- / - / -
0
318
GPR20_HUMAN
18
32%
0.221
PF00001
48 -
(0)
?
- / - / -
0
319
GRM2_HUMAN
32
99%
0.550
PF07562
C1_S1
47 -
(0)
20
- /
7
/
23
10
320
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
321
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
322
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
323
ACM5_HUMAN
20
78%
0.220
PF00001
C2_S1
47 -
(0)
1
- /
1
/ -
1
324
OR9G1_HUMAN
4
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
325
O11H4_HUMAN
9
32%
0.206
PF00001
47 -
(0)
?
- / - / -
0
326
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
327
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
328
OR2W6_HUMAN
3
36%
0.231
PF10413
47 -
(0)
?
- / - / -
0
329
OR7G3_HUMAN
8
36%
0.304
PF00001
47 -
(0)
?
- / - / -
0
330
OR3A3_HUMAN
12
46%
0.235
PF00001
47 -
(0)
?
- / - / -
0
331
OR2A4_HUMAN
7
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
332
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
333
O10J4_HUMAN
6
31%
0.257
PF10413
47 -
(0)
?
- / - / -
0
334
GPER1_HUMAN
18
39%
0.261
PF00001
47 -
(0)
?
- / - / -
0
335
GNRR2_HUMAN
8
37%
0.217
PF00001
46 -
(0)
?
- / - / -
0
336
OR4S1_HUMAN
7
56%
0.219
PF00001
46 -
(0)
?
- / - / -
0
337
OR1Q1_HUMAN
8
33%
0.198
PF00001
46 -
(0)
?
- / - / -
0
338
OR7G2_HUMAN
5
32%
0.314
PF00001
46 -
(0)
?
- / - / -
0
339
PF2R_HUMAN
5
31%
0.339
PF10413
46 -
(0)
?
- / - / -
0
340
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
341
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
342
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
343
OR1J1_HUMAN
6
37%
0.222
PF00001
46 -
(0)
?
- / - / -
0
344
OR2G6_HUMAN
3
38%
0.210
PF10413
46 -
(0)
?
- / - / -
0
345
OR4K2_HUMAN
14
32%
0.247
PF00001
46 -
(0)
?
- / - / -
0
346
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
347
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
348
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
349
OR7G1_HUMAN
5
38%
0.205
PF00001
46 -
(0)
?
- / - / -
0
350
OR6F1_HUMAN
1
31%
0.276
PF10413
46 -
(0)
?
- / - / -
0
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