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]
400
SUCR1_HUMAN
20
37%
0.253
PF00001
49 -
(0)
?
- / - / -
0
401
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
402
OR1I1_HUMAN
13
37%
0.301
PF00001
55 -
(0)
?
- / - / -
0
403
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
404
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
405
OR6N1_HUMAN
5
37%
0.405
PF00001
51 -
(0)
?
- / - / -
0
406
OR2I1_HUMAN
5
37%
0.257
PF10413
49 -
(0)
?
- / - / -
0
407
O10H1_HUMAN
12
37%
0.267
PF00001
50 -
(0)
?
- / - / -
0
408
GP182_HUMAN
19
37%
0.247
PF00001
55 -
(0)
1
- / - / -
0
409
ACKR1_HUMAN
9
37%
0.170
PF00001
14 -
(0)
?
- / - / -
0
410
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
411
O10H5_HUMAN
8
37%
0.276
PF00001
39 -
(0)
?
- / - / -
0
412
O51B4_HUMAN
13
37%
0.277
PF00001
50 -
(0)
?
- / - / -
0
413
O52J3_HUMAN
3
37%
0.231
PF00001
73 -
(0)
?
- / - / -
0
414
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
415
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
416
GPC6A_HUMAN
20
37%
0.389
PF07562
26 -
(0)
?
- / - / -
0
417
O2T35_HUMAN
4
37%
0.242
PF10413
29 -
(0)
?
- / - / -
0
418
AGRF1_HUMAN
8
37%
0.349
PF00001
11 -
(0)
?
- / - / -
0
419
OR6C3_HUMAN
5
37%
0.348
PF00001
43 -
(0)
?
- / - / -
0
420
OR9Q2_HUMAN
13
37%
0.336
PF00001
27 -
(0)
?
- / - / -
0
421
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
422
O13C2_HUMAN
4
37%
0.246
PF10413
42 -
(0)
?
- / - / -
0
423
GPR52_HUMAN
20
37%
0.293
PF00001
110 -
(0)
?
- / - / -
0
424
T2R40_HUMAN
11
37%
0.213
PF00001
14 -
(0)
?
- / - / -
0
425
OR83P_HUMAN
11
37%
0.335
PF00001
32 -
(0)
?
- / - / -
0
426
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
427
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
428
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
429
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
430
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
431
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
432
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
433
OR4F5_HUMAN
4
36%
0.200
PF00001
37 -
(0)
?
- / - / -
0
434
KISSR_HUMAN
20
36%
0.289
PF00001
42 -
(0)
?
- / - / -
0
435
C3AR_HUMAN
6
36%
0.198
PF00001
116 -
(0)
?
- / - / -
0
436
OR5BC_HUMAN
6
36%
0.297
PF00001
36 -
(0)
?
- / - / -
0
437
OR2W6_HUMAN
3
36%
0.231
PF10413
47 -
(0)
?
- / - / -
0
438
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
439
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
440
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
441
O4F17_HUMAN
7
36%
0.221
PF00001
34 -
(0)
?
- / - / -
0
442
OR4F4_HUMAN
7
36%
0.182
PF00001
34 -
(0)
?
- / - / -
0
443
PAR2_HUMAN
18
36%
0.249
PF00001
59 -
(0)
?
- / - / -
0
444
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
445
OR2L5_HUMAN
12
36%
0.099
PF00001
32 -
(0)
?
- / - / -
0
446
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
447
O10D3_HUMAN
12
36%
0.292
PF00001
34 -
(0)
?
- / - / -
0
448
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
449
ACKR4_HUMAN
20
36%
0.209
PF00001
72 -
(0)
1
- / - / -
0
450
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
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