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
OR6C3_HUMAN
5
37%
0.348
PF00001
43 -
(0)
?
- / - / -
0
401
OR7A5_HUMAN
10
31%
0.298
PF00001
43 -
(0)
?
- / - / -
0
402
TSHR_HUMAN
7
25%
0.239
PF10413
43 -
(0)
?
- / - / -
0
403
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
404
OR6J1_HUMAN
12
31%
0.264
PF00001
43 -
(0)
?
- / - / -
0
405
O13A1_HUMAN
11
38%
0.289
PF00001
43 -
(0)
?
- / - / -
0
406
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
407
O10G7_HUMAN
7
34%
0.269
PF00001
42 -
(0)
?
- / - / -
0
408
O52K2_HUMAN
10
35%
0.377
PF00001
42 -
(0)
?
- / - / -
0
409
FFAR2_HUMAN
11
33%
0.268
PF00001
42 -
(0)
?
- / - / -
0
410
GPR31_HUMAN
20
34%
0.329
PF10413
42 -
(0)
?
- / - / -
0
411
GPR87_HUMAN
20
40%
0.263
PF12109
42 -
(0)
?
- / - / -
0
412
OR1E3_HUMAN
8
31%
0.287
PF00001
42 -
(0)
?
- / - / -
0
413
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
414
O52L2_HUMAN
12
28%
0.256
PF00001
42 -
(0)
?
- / - / -
0
415
OR5M9_HUMAN
7
33%
0.290
PF00001
42 -
(0)
?
- / - / -
0
416
OR2A1_HUMAN
10
44%
0.322
PF00001
42 -
(0)
?
- / - / -
0
417
OR2M7_HUMAN
4
29%
0.330
PF00001
42 -
(0)
?
- / - / -
0
418
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
419
O13H1_HUMAN
5
35%
0.285
PF00001
42 -
(0)
?
- / - / -
0
420
O13C2_HUMAN
4
37%
0.246
PF10413
42 -
(0)
?
- / - / -
0
421
EDNRA_HUMAN
14
31%
0.237
PF00001
42 -
(0)
?
- / - / -
0
422
OR4KE_HUMAN
2
61%
0.286
PF10413
42 -
(0)
?
- / - / -
0
423
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
424
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
425
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
426
O2AG2_HUMAN
5
42%
0.225
PF00001
42 -
(0)
?
- / - / -
0
427
KISSR_HUMAN
20
36%
0.289
PF00001
42 -
(0)
?
- / - / -
0
428
O51H1_HUMAN
12
45%
0.164
PF00001
42 -
(0)
?
- / - / -
0
429
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
430
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
431
OR4C3_HUMAN
2
52%
0.332
PF10413
41 -
(0)
?
- / - / -
0
432
GP101_HUMAN
20
36%
0.166
PF00001
41 -
(0)
?
- / - / -
0
433
OR2M4_HUMAN
4
57%
0.370
PF10413
C1_S1
41 -
(0)
?
- / - /
1
0
434
OR1S2_HUMAN
9
46%
0.226
PF00001
41 -
(0)
?
- / - / -
0
435
O52P1_HUMAN
12
39%
0.259
PF00001
41 -
(0)
?
- / - / -
0
436
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
437
OR4K3_HUMAN
6
41%
0.230
PF10413
41 -
(0)
?
- / - / -
0
438
OR7C1_HUMAN
5
31%
0.235
PF00001
41 -
(0)
?
- / - / -
0
439
O2AP1_HUMAN
3
43%
0.335
PF00001
41 -
(0)
?
- / - / -
0
440
O13J1_HUMAN
9
44%
0.279
PF00001
41 -
(0)
?
- / - / -
0
441
O2T33_HUMAN
6
27%
0.274
PF00001
41 -
(0)
?
- / - / -
0
442
OR8I2_HUMAN
6
35%
0.294
PF00001
41 -
(0)
?
- / - / -
0
443
OR8K5_HUMAN
11
66%
0.188
PF00001
41 -
(0)
?
- / - / -
0
444
OR2L2_HUMAN
3
44%
0.251
PF10413
41 -
(0)
?
- / - / -
0
445
MRGRG_HUMAN
11
43%
0.133
PF00001
41 -
(0)
?
- / - / -
0
446
OR2L8_HUMAN
4
34%
0.251
PF10413
41 -
(0)
?
- / - / -
0
447
O51A2_HUMAN
7
33%
0.269
PF00001
41 -
(0)
?
- / - / -
0
448
PE2R1_HUMAN
13
34%
0.348
PF00001
41 -
(0)
?
- / - / -
0
449
OR4N2_HUMAN
3
37%
0.318
PF10413
41 -
(0)
?
- / - / -
0
450
OR2J1_HUMAN
6
28%
0.299
PF00001
41 -
(0)
?
- / - / -
0
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