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
OR4S2_HUMAN
12
27%
0.334
PF00001
29 -
(0)
?
- / - / -
0
351
MAS1L_HUMAN
12
32%
0.281
PF00001
18 -
(0)
?
- / - / -
0
352
MRGX1_HUMAN
12
35%
0.214
PF00001
36 -
(0)
?
- / - / -
0
353
O51H1_HUMAN
12
45%
0.164
PF00001
42 -
(0)
?
- / - / -
0
354
GP153_HUMAN
12
42%
0.299
PF00001
36 -
(0)
?
- / - / -
0
355
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
356
O52N5_HUMAN
12
34%
0.393
PF00001
35 -
(0)
?
- / - / -
0
357
OR4A8_HUMAN
12
42%
0.274
PF10413
50 -
(0)
?
- / - / -
0
358
GP143_HUMAN
12
21%
0.286
PF00001
14 -
(0)
?
- / - / -
0
359
OR8D4_HUMAN
12
29%
0.343
PF00001
25 -
(0)
?
- / - / -
0
360
OR5P3_HUMAN
12
31%
0.236
PF00001
32 -
(0)
?
- / - / -
0
361
O7E24_HUMAN
12
29%
0.260
PF00001
35 -
(0)
?
- / - / -
0
362
OR5I1_HUMAN
12
40%
0.241
PF00001
38 -
(0)
?
- / - / -
0
363
DRD3_HUMAN
12
100%
0.299
PF00001
126 -
(0)
?
- / - / -
0
364
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
365
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
366
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
367
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
368
O52H1_HUMAN
12
43%
0.177
PF00001
31 -
(0)
?
- / - / -
0
369
PE2R4_HUMAN
12
35%
0.273
PF00001
60 -
(0)
?
- / - / -
0
370
OR5DD_HUMAN
12
57%
0.261
PF00001
29 -
(0)
?
- / - / -
0
371
GP148_HUMAN
12
26%
0.311
PF00001
65 -
(0)
?
- / - / -
0
372
BAI1_HUMAN
12
64%
0.409
PF00090
13 -
(0)
1
- / - / -
0
373
OR2L5_HUMAN
12
36%
0.099
PF00001
32 -
(0)
?
- / - / -
0
374
O10R2_HUMAN
12
33%
0.278
PF00001
25 -
(0)
?
- / - / -
0
375
CRFR1_HUMAN
12
100%
0.418
PF02793
C4_S1
10 -
(0)
?
- /
1
/
8
0
376
AGRF2_HUMAN
12
30%
0.287
PF00001
13 -
(0)
?
- / - / -
0
377
OR4CC_HUMAN
12
46%
0.260
PF00001
30 -
(0)
?
- / - / -
0
378
OR6K6_HUMAN
12
59%
0.328
PF00001
31 -
(0)
?
- / - / -
0
379
O10G8_HUMAN
12
45%
0.217
PF00001
32 -
(0)
?
- / - / -
0
380
O56B1_HUMAN
12
37%
0.304
PF00001
44 -
(0)
?
- / - / -
0
381
OR5T1_HUMAN
12
46%
0.261
PF00001
30 -
(0)
?
- / - / -
0
382
O5AC1_HUMAN
12
34%
0.342
PF00001
29 -
(0)
?
- / - / -
0
383
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
384
OR6J1_HUMAN
12
31%
0.264
PF00001
43 -
(0)
?
- / - / -
0
385
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
386
OR4N4_HUMAN
12
36%
0.301
PF10413
36 -
(0)
?
- / - / -
0
387
O52P1_HUMAN
12
39%
0.259
PF00001
41 -
(0)
?
- / - / -
0
388
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
389
O52L2_HUMAN
12
28%
0.256
PF00001
42 -
(0)
?
- / - / -
0
390
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
391
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
392
O10D3_HUMAN
12
36%
0.292
PF00001
34 -
(0)
?
- / - / -
0
393
OR5R1_HUMAN
12
28%
0.320
PF00001
52 -
(0)
?
- / - / -
0
394
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
395
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
396
O51I1_HUMAN
12
43%
0.215
PF00001
53 -
(0)
?
- / - / -
0
397
TA2R1_HUMAN
12
38%
0.236
PF00001
12 -
(0)
?
- / - / -
0
398
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
399
O14I1_HUMAN
12
34%
0.352
PF10413
33 -
(0)
?
- / - / -
0
400
OR8K3_HUMAN
12
33%
0.382
PF00001
65 -
(0)
?
- / - / -
0
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