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
CASR_HUMAN
24
35%
0.459
PF07562
C2_S1
37 -
(0)
15
- / - /
13
6
501
OR2C3_HUMAN
4
30%
0.294
PF10413
37 -
(0)
?
- / - / -
0
502
O5AC2_HUMAN
12
38%
0.310
PF00001
37 -
(0)
?
- / - / -
0
503
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
504
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
505
OR2B8_HUMAN
5
48%
0.280
PF10413
37 -
(0)
?
- / - / -
0
506
OR2B6_HUMAN
5
27%
0.255
PF10413
37 -
(0)
?
- / - / -
0
507
GRM5_HUMAN
27
99%
0.555
PF07562
C1_S1
37 -
(0)
11
- /
3
/
10
7
508
GRM3_HUMAN
35
99%
0.507
PF07562
C1_S1
37 -
(0)
17
- /
6
/
18
9
509
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
510
OR4F5_HUMAN
4
36%
0.200
PF00001
37 -
(0)
?
- / - / -
0
511
OR1C1_HUMAN
6
33%
0.189
PF00001
37 -
(0)
?
- / - / -
0
512
O52E2_HUMAN
11
31%
0.270
PF00001
37 -
(0)
?
- / - / -
0
513
O14J1_HUMAN
5
32%
0.297
PF00001
37 -
(0)
?
- / - / -
0
514
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
515
OR1F1_HUMAN
7
27%
0.328
PF00001
37 -
(0)
?
- / - / -
0
516
CCKAR_HUMAN
17
39%
0.247
PF10413
37 -
(0)
?
- / - / -
0
517
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
518
OR9Q1_HUMAN
4
43%
0.290
PF10413
36 -
(0)
?
- / - / -
0
519
OR6S1_HUMAN
6
34%
0.335
PF00001
36 -
(0)
?
- / - / -
0
520
GPR55_HUMAN
14
33%
0.271
PF00001
36 -
(0)
?
- / - / -
0
521
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
522
MRGRD_HUMAN
14
40%
0.212
PF00001
36 -
(0)
?
- / - / -
0
523
OR6B3_HUMAN
13
70%
0.296
PF00001
36 -
(0)
?
- / - / -
0
524
OR5M8_HUMAN
8
40%
0.249
PF00001
36 -
(0)
?
- / - / -
0
525
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
526
GP153_HUMAN
12
42%
0.299
PF00001
36 -
(0)
?
- / - / -
0
527
GP142_HUMAN
8
46%
0.283
PF00001
36 -
(0)
?
- / - / -
0
528
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
529
O10H4_HUMAN
13
32%
0.323
PF00001
36 -
(0)
?
- / - / -
0
530
OR5BC_HUMAN
6
36%
0.297
PF00001
36 -
(0)
?
- / - / -
0
531
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
532
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
533
OR5H1_HUMAN
13
31%
0.315
PF00001
36 -
(0)
?
- / - / -
0
534
OR5DE_HUMAN
13
52%
0.293
PF00001
36 -
(0)
?
- / - / -
0
535
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
536
O10C1_HUMAN
4
34%
0.343
PF00001
36 -
(0)
?
- / - / -
0
537
MRGX1_HUMAN
12
35%
0.214
PF00001
36 -
(0)
?
- / - / -
0
538
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
539
S1PR5_HUMAN
10
51%
0.395
PF00001
C4_S1
36 -
(0)
?
- / - /
1
0
540
OR3A4_HUMAN
14
31%
0.240
PF00001
36 -
(0)
?
- / - / -
0
541
OR8G5_HUMAN
11
31%
0.273
PF00001
36 -
(0)
?
- / - / -
0
542
OR4N4_HUMAN
12
36%
0.301
PF10413
36 -
(0)
?
- / - / -
0
543
OR2T4_HUMAN
5
39%
0.216
PF00001
36 -
(0)
?
- / - / -
0
544
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
545
G32P1_HUMAN
13
32%
0.229
PF00001
36 -
(0)
?
- / - / -
0
546
OR8J1_HUMAN
13
30%
0.266
PF00001
35 -
(0)
?
- / - / -
0
547
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
548
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
549
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
550
OR2D2_HUMAN
14
31%
0.293
PF00001
35 -
(0)
?
- / - / -
0
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