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]
350
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
351
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
352
O6C76_HUMAN
4
47%
0.252
PF00001
30 -
(0)
?
- / - / -
0
353
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
354
OR4KF_HUMAN
8
40%
0.306
PF00001
44 -
(0)
?
- / - / -
0
355
O51A4_HUMAN
13
32%
0.289
PF00001
32 -
(0)
?
- / - / -
0
356
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
357
VN1R5_HUMAN
11
25%
0.173
PF00001
13 -
(0)
?
- / - / -
0
358
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
359
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
360
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
361
LPAR1_HUMAN
20
100%
0.290
PF00001
27 -
(0)
?
- / - / -
0
362
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
363
NPSR1_HUMAN
20
33%
0.150
PF00001
77 -
(0)
?
- / - / -
0
364
OR7A2_HUMAN
8
35%
0.232
PF00001
33 -
(0)
?
- / - / -
0
365
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
366
OR9G1_HUMAN
4
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
367
O10D4_HUMAN
12
33%
0.262
PF00001
53 -
(0)
?
- / - / -
0
368
O52N4_HUMAN
8
33%
0.157
PF00001
32 -
(0)
?
- / - / -
0
369
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
370
O13C9_HUMAN
4
31%
0.321
PF10413
61 -
(0)
?
- / - / -
0
371
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
372
PTH1R_HUMAN
1
42%
0.514
PF02793
16 -
(0)
?
- / - / -
0
373
OR1G1_HUMAN
7
30%
0.239
PF00001
35 -
(0)
?
- / - / -
0
374
OR1N2_HUMAN
7
33%
0.282
PF00001
38 -
(0)
?
- / - / -
0
375
OR9Q2_HUMAN
13
37%
0.336
PF00001
27 -
(0)
?
- / - / -
0
376
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
377
O13C6_HUMAN
8
29%
0.209
PF00001
22 -
(0)
?
- / - / -
0
378
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
379
NK2R_HUMAN
20
58%
0.306
PF00001
39 -
(0)
?
- / - / -
0
380
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
381
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
382
LGR5_HUMAN
19
100%
0.446
PF01462
24 -
(0)
4
- / - / -
0
383
OR5K1_HUMAN
11
29%
0.306
PF00001
26 -
(0)
?
- / - / -
0
384
GNRR2_HUMAN
8
37%
0.217
PF00001
46 -
(0)
?
- / - / -
0
385
OR2B3_HUMAN
5
40%
0.226
PF10413
30 -
(0)
?
- / - / -
0
386
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
387
OR2T7_HUMAN
4
36%
0.282
PF00001
73 -
(0)
?
- / - / -
0
388
GP119_HUMAN
20
38%
0.438
PF00001
123 -
(0)
?
- / - / -
0
389
GPR20_HUMAN
18
32%
0.221
PF00001
48 -
(0)
?
- / - / -
0
390
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
391
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
392
GP183_HUMAN
20
33%
0.263
PF00001
51 -
(0)
?
- / - / -
0
393
O10J5_HUMAN
11
34%
0.191
PF00001
62 -
(0)
?
- / - / -
0
394
TA2R8_HUMAN
9
24%
0.126
PF00001
23 -
(0)
?
- / - / -
0
395
OR6B1_HUMAN
13
29%
0.285
PF10413
60 -
(0)
?
- / - / -
0
396
NMBR_HUMAN
20
37%
0.278
PF00001
63 -
(0)
?
- / - / -
0
397
OR5A2_HUMAN
13
33%
0.313
PF00001
20 -
(0)
?
- / - / -
0
398
VN1R1_HUMAN
11
29%
0.203
PF00001
11 -
(0)
?
- / - / -
0
399
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
400
OR1D4_HUMAN
7
38%
0.348
PF00001
56 -
(0)
?
- / - / -
0
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