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
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
351
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
352
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
353
OR2C3_HUMAN
4
30%
0.294
PF10413
37 -
(0)
?
- / - / -
0
354
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
355
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
356
OR6C4_HUMAN
3
61%
0.294
PF10413
38 -
(0)
?
- / - / -
0
357
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
358
OR2D2_HUMAN
14
31%
0.293
PF00001
35 -
(0)
?
- / - / -
0
359
GPR52_HUMAN
20
37%
0.293
PF00001
110 -
(0)
?
- / - / -
0
360
OR5DE_HUMAN
13
52%
0.293
PF00001
36 -
(0)
?
- / - / -
0
361
O10D3_HUMAN
12
36%
0.292
PF00001
34 -
(0)
?
- / - / -
0
362
OR4KD_HUMAN
2
33%
0.292
PF10413
55 -
(0)
?
- / - / -
0
363
OR5V1_HUMAN
13
40%
0.292
PF00001
28 -
(0)
?
- / - / -
0
364
GPR3_HUMAN
20
34%
0.292
PF00001
49 -
(0)
?
- / - / -
0
365
OR8G1_HUMAN
6
31%
0.292
PF00001
57 -
(0)
?
- / - / -
0
366
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
367
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
368
TA2R7_HUMAN
11
26%
0.291
PF00001
12 -
(0)
?
- / - / -
0
369
O10K1_HUMAN
7
36%
0.291
PF00001
34 -
(0)
?
- / - / -
0
370
GPR39_HUMAN
19
38%
0.291
PF10413
27 -
(0)
?
- / - / -
0
371
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
372
GPC5B_HUMAN
0
22%
0.291
PF00959
11 -
(0)
?
- / - / -
0
373
O10G6_HUMAN
13
38%
0.291
PF00001
30 -
(0)
?
- / - / -
0
374
OR6C6_HUMAN
1
32%
0.290
PF10413
22 -
(0)
?
- / - / -
0
375
FZD6_HUMAN
20
39%
0.290
PF01392
20 -
(0)
?
- / - / -
0
376
LPAR1_HUMAN
20
100%
0.290
PF00001
27 -
(0)
?
- / - / -
0
377
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
378
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
379
OR5M9_HUMAN
7
33%
0.290
PF00001
42 -
(0)
?
- / - / -
0
380
NPBW2_HUMAN
20
42%
0.290
PF00001
78 -
(0)
?
- / - / -
0
381
OR9Q1_HUMAN
4
43%
0.290
PF10413
36 -
(0)
?
- / - / -
0
382
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
383
P2Y12_HUMAN
19
100%
0.290
PF00001
67 -
(0)
?
- / - / -
0
384
O13A1_HUMAN
11
38%
0.289
PF00001
43 -
(0)
?
- / - / -
0
385
GPR61_HUMAN
19
26%
0.289
PF00001
85 -
(0)
?
- / - / -
0
386
OR4M2_HUMAN
7
34%
0.289
PF10413
24 -
(0)
?
- / - / -
0
387
OR6Q1_HUMAN
9
59%
0.289
PF00001
44 -
(0)
?
- / - / -
0
388
KISSR_HUMAN
20
36%
0.289
PF00001
42 -
(0)
?
- / - / -
0
389
O51A4_HUMAN
13
32%
0.289
PF00001
32 -
(0)
?
- / - / -
0
390
O4C45_HUMAN
11
40%
0.289
PF00001
24 -
(0)
?
- / - / -
0
391
OR5P2_HUMAN
13
29%
0.288
PF00001
28 -
(0)
?
- / - / -
0
392
OR8J3_HUMAN
13
32%
0.288
PF00001
29 -
(0)
?
- / - / -
0
393
O52D1_HUMAN
1
31%
0.288
PF00001
66 -
(0)
?
- / - / -
0
394
O12D3_HUMAN
6
43%
0.288
PF00001
31 -
(0)
?
- / - / -
0
395
GPR18_HUMAN
18
29%
0.288
PF00001
56 -
(0)
?
- / - / -
0
396
O10A7_HUMAN
7
28%
0.288
PF00001
32 -
(0)
?
- / - / -
0
397
OR1E3_HUMAN
8
31%
0.287
PF00001
42 -
(0)
?
- / - / -
0
398
GP135_HUMAN
20
35%
0.287
PF10413
28 -
(0)
?
- / - / -
0
399
AGRF2_HUMAN
12
30%
0.287
PF00001
13 -
(0)
?
- / - / -
0
400
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
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