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
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
451
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
452
OR5W2_HUMAN
11
38%
0.298
PF00001
32 -
(0)
?
- / - / -
0
453
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
454
OR5A1_HUMAN
11
40%
0.271
PF00001
92 -
(0)
?
- / - / -
0
455
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
456
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
457
VNRL4_HUMAN
11
35%
0.145
PF00001
8 -
(0)
?
- / - / -
0
458
T2R13_HUMAN
11
31%
0.152
PF00001
13 -
(0)
?
- / - / -
0
459
OR6K3_HUMAN
11
60%
0.324
PF00001
44 -
(0)
?
- / - / -
0
460
OR83P_HUMAN
11
37%
0.335
PF00001
32 -
(0)
?
- / - / -
0
461
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
462
GPR56_HUMAN
11
27%
0.047
PF00001
13 -
(0)
?
- / - / -
0
463
VN1R3_HUMAN
11
24%
0.141
PF00001
12 -
(0)
?
- / - / -
0
464
OR7AH_HUMAN
11
33%
0.226
PF00001
40 -
(0)
?
- / - / -
0
465
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
466
O52E2_HUMAN
11
31%
0.270
PF00001
37 -
(0)
?
- / - / -
0
467
T2R20_HUMAN
11
22%
0.286
PF00001
14 -
(0)
?
- / - / -
0
468
T2R45_HUMAN
11
30%
0.244
PF00001
12 -
(0)
?
- / - / -
0
469
O4C45_HUMAN
11
40%
0.289
PF00001
24 -
(0)
?
- / - / -
0
470
T2R14_HUMAN
11
30%
0.194
PF00001
13 -
(0)
?
- / - / -
0
471
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
472
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
473
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
474
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
475
AGRG5_HUMAN
11
31%
0.274
PF00001
7 -
(0)
?
- / - / -
0
476
OR5F1_HUMAN
11
40%
0.355
PF00001
44 -
(0)
?
- / - / -
0
477
GP149_HUMAN
11
40%
0.296
PF02162
22 -
(0)
?
- / - / -
0
478
VN1R4_HUMAN
11
29%
?
PF00001
12 -
(0)
?
- / - / -
0
479
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
480
OR9A1_HUMAN
11
41%
0.163
PF00001
54 -
(0)
?
- / - / -
0
481
AGRD1_HUMAN
11
32%
0.387
PF07952
4 -
(0)
?
- / - / -
0
482
T2R42_HUMAN
11
30%
0.251
PF00001
15 -
(0)
?
- / - / -
0
483
NTR2_HUMAN
11
39%
0.430
PF00001
86 -
(0)
?
- / - / -
0
484
T2R38_HUMAN
11
28%
0.249
PF00001
18 -
(0)
?
- / - / -
0
485
OR5K1_HUMAN
11
29%
0.306
PF00001
26 -
(0)
?
- / - / -
0
486
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
487
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
488
O51L1_HUMAN
11
32%
0.273
PF00001
50 -
(0)
?
- / - / -
0
489
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
490
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
491
OR6C1_HUMAN
11
31%
0.286
PF10413
26 -
(0)
?
- / - / -
0
492
OR4E1_HUMAN
11
31%
0.266
PF00001
34 -
(0)
?
- / - / -
0
493
TA2R3_HUMAN
11
23%
0.268
PF10413
23 -
(0)
?
- / - / -
0
494
OR8D1_HUMAN
10
34%
0.134
PF00001
34 -
(0)
?
- / - / -
0
495
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
496
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
497
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
498
S1PR5_HUMAN
10
51%
0.395
PF00001
C4_S1
36 -
(0)
?
- / - /
1
0
499
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
500
O10AC_HUMAN
10
31%
0.322
PF00001
16 -
(0)
?
- / - / -
0
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