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]
450
O10R2_HUMAN
12
33%
0.278
PF00001
25 -
(0)
?
- / - / -
0
451
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
452
TAAR6_HUMAN
20
34%
0.278
PF00001
209 -
(0)
?
- / - / -
0
453
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
454
O52B6_HUMAN
4
34%
0.278
PF00001
81 -
(0)
?
- / - / -
0
455
CXCR4_HUMAN
20
99%
0.277
PF00001
C5_S1
55 -
(0)
?
- / - /
2
0
456
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
457
O51B4_HUMAN
13
37%
0.277
PF00001
50 -
(0)
?
- / - / -
0
458
CLTR1_HUMAN
20
35%
0.277
PF00001
54 -
(0)
?
- / - / -
0
459
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
460
O10G9_HUMAN
13
37%
0.277
PF00001
33 -
(0)
?
- / - / -
0
461
T2R46_HUMAN
7
33%
0.277
PF00001
21 -
(0)
?
- / - / -
0
462
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
463
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
464
OR6F1_HUMAN
1
31%
0.276
PF10413
46 -
(0)
?
- / - / -
0
465
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
466
OR6C2_HUMAN
4
34%
0.276
PF10413
30 -
(0)
?
- / - / -
0
467
OR4M1_HUMAN
9
31%
0.276
PF00001
34 -
(0)
?
- / - / -
0
468
O10H5_HUMAN
8
37%
0.276
PF00001
39 -
(0)
?
- / - / -
0
469
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
470
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
471
O52E1_HUMAN
12
34%
0.274
PF00001
45 -
(0)
?
- / - / -
0
472
O2T33_HUMAN
6
27%
0.274
PF00001
41 -
(0)
?
- / - / -
0
473
TAAR1_HUMAN
21
34%
0.274
PF00001
C5_S1
168 -
(0)
1
- / - /
1
0
474
OR4A8_HUMAN
12
42%
0.274
PF10413
50 -
(0)
?
- / - / -
0
475
AGRG5_HUMAN
11
31%
0.274
PF00001
7 -
(0)
?
- / - / -
0
476
GP176_HUMAN
10
38%
0.273
PF10413
25 -
(0)
?
- / - / -
0
477
PE2R4_HUMAN
12
35%
0.273
PF00001
60 -
(0)
?
- / - / -
0
478
OR8G5_HUMAN
11
31%
0.273
PF00001
36 -
(0)
?
- / - / -
0
479
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
480
O51L1_HUMAN
11
32%
0.273
PF00001
50 -
(0)
?
- / - / -
0
481
OXYR_HUMAN
18
39%
0.273
PF10413
56 -
(0)
?
- / - / -
0
482
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
483
TA2R9_HUMAN
11
57%
0.272
PF12109
17 -
(0)
?
- / - / -
0
484
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
485
T2R43_HUMAN
5
25%
0.272
PF00001
20 -
(0)
?
- / - / -
0
486
LPAR2_HUMAN
20
56%
0.272
PF00001
43 -
(0)
?
- / - / -
0
487
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
488
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
489
OR8S1_HUMAN
11
39%
0.272
PF00001
29 -
(0)
?
- / - / -
0
490
O10X1_HUMAN
11
46%
0.272
PF00001
35 -
(0)
?
- / - / -
0
491
O10A3_HUMAN
6
27%
0.271
PF00001
34 -
(0)
?
- / - / -
0
492
O2AG1_HUMAN
3
44%
0.271
PF10413
31 -
(0)
?
- / - / -
0
493
OR2M5_HUMAN
2
47%
0.271
PF00001
28 -
(0)
?
- / - / -
0
494
5HT1E_HUMAN
23
44%
0.271
PF00001
C5_S1
124 -
(0)
5
- / - /
2
0
495
OR5A1_HUMAN
11
40%
0.271
PF00001
92 -
(0)
?
- / - / -
0
496
O5AK3_HUMAN
9
28%
0.271
PF00001
35 -
(0)
?
- / - / -
0
497
GPR55_HUMAN
14
33%
0.271
PF00001
36 -
(0)
?
- / - / -
0
498
O52E4_HUMAN
7
33%
0.271
PF00001
45 -
(0)
?
- / - / -
0
499
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
500
OR4C5_HUMAN
13
19%
0.270
PF00001
13 -
(0)
?
- / - / -
0
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