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]
500
AGRB3_HUMAN
9
64%
0.402
PF00090
13 -
(0)
?
- / - / -
0
501
OR1D4_HUMAN
7
38%
0.348
PF00001
56 -
(0)
?
- / - / -
0
502
OR1P1_HUMAN
6
39%
0.302
PF00001
69 -
(0)
?
- / - / -
0
503
OR2M3_HUMAN
3
50%
0.334
PF10413
45 -
(0)
?
- / - / -
0
504
OR1C1_HUMAN
6
33%
0.189
PF00001
37 -
(0)
?
- / - / -
0
505
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
506
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
507
O2T27_HUMAN
6
31%
0.297
PF00001
40 -
(0)
?
- / - / -
0
508
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
509
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
510
OR4E2_HUMAN
5
27%
0.251
PF10413
33 -
(0)
?
- / - / -
0
511
OR4E1_HUMAN
11
31%
0.266
PF00001
34 -
(0)
?
- / - / -
0
512
CCR10_HUMAN
20
38%
0.369
PF00001
65 -
(0)
?
- / - / -
0
513
O6C68_HUMAN
3
34%
0.237
PF10413
44 -
(0)
?
- / - / -
0
514
TA2R4_HUMAN
11
28%
0.165
PF00001
10 -
(0)
?
- / - / -
0
515
OR6M1_HUMAN
6
30%
0.304
PF00001
39 -
(0)
?
- / - / -
0
516
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
517
AGRE2_HUMAN
18
86%
0.354
PF00084
1 -
(0)
?
- / - / -
0
518
AGRF4_HUMAN
5
47%
0.142
PF00001
8 -
(0)
?
- / - / -
0
519
T2R16_HUMAN
11
32%
0.301
PF00001
11 -
(0)
?
- / - / -
0
520
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
521
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
522
O52M1_HUMAN
13
56%
0.320
PF00001
54 -
(0)
?
- / - / -
0
523
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
524
PKR1_HUMAN
20
35%
0.257
PF00001
66 -
(0)
1
- / - / -
0
525
KISSR_HUMAN
20
36%
0.289
PF00001
42 -
(0)
?
- / - / -
0
526
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
527
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
528
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
529
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
530
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
531
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
532
OR2L5_HUMAN
12
36%
0.099
PF00001
32 -
(0)
?
- / - / -
0
533
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
534
P2RY8_HUMAN
19
33%
0.242
PF00001
86 -
(0)
1
- / - / -
0
535
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
536
OR4D2_HUMAN
5
27%
0.332
PF00001
50 -
(0)
?
- / - / -
0
537
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
538
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
539
OR8G1_HUMAN
6
31%
0.292
PF00001
57 -
(0)
?
- / - / -
0
540
OR8A1_HUMAN
11
40%
0.345
PF00001
58 -
(0)
?
- / - / -
0
541
OR6K2_HUMAN
9
46%
0.215
PF00001
34 -
(0)
?
- / - / -
0
542
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
543
OR2M7_HUMAN
4
29%
0.330
PF00001
42 -
(0)
?
- / - / -
0
544
O10X1_HUMAN
11
46%
0.272
PF00001
35 -
(0)
?
- / - / -
0
545
GPR82_HUMAN
16
38%
0.238
PF00001
44 -
(0)
?
- / - / -
0
546
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
547
APJ_HUMAN
20
33%
0.135
PF00001
55 -
(0)
?
- / - / -
0
548
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
549
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
550
OR5M1_HUMAN
7
32%
0.343
PF00001
33 -
(0)
?
- / - / -
0
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