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
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
501
OR4A4_HUMAN
6
46%
0.243
PF10413
28 -
(0)
?
- / - / -
0
502
O4C46_HUMAN
13
29%
0.247
PF00001
18 -
(0)
?
- / - / -
0
503
OR1L1_HUMAN
13
46%
0.273
PF00001
48 -
(0)
?
- / - / -
0
504
CRFR2_HUMAN
13
100%
0.442
PF02793
C4_S1
22 -
(0)
?
- /
1
/
9
0
505
O10X1_HUMAN
11
46%
0.272
PF00001
35 -
(0)
?
- / - / -
0
506
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
507
OR2T5_HUMAN
7
45%
0.214
PF00001
51 -
(0)
?
- / - / -
0
508
LPAR2_HUMAN
20
56%
0.272
PF00001
43 -
(0)
?
- / - / -
0
509
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
510
T2R38_HUMAN
11
28%
0.249
PF00001
18 -
(0)
?
- / - / -
0
511
OR2B2_HUMAN
9
40%
0.299
PF10413
35 -
(0)
?
- / - / -
0
512
O51E2_HUMAN
7
33%
0.210
PF00001
58 -
(0)
?
- / - / -
0
513
FFAR4_HUMAN
6
33%
0.268
PF10413
48 -
(0)
?
- / - / -
0
514
CRFR1_HUMAN
12
100%
0.418
PF02793
C4_S1
10 -
(0)
?
- /
1
/
8
0
515
TAAR8_HUMAN
20
32%
0.347
PF00001
180 -
(0)
?
- / - / -
0
516
VN1R2_HUMAN
11
35%
0.189
PF00001
12 -
(0)
?
- / - / -
0
517
O52D1_HUMAN
1
31%
0.288
PF00001
66 -
(0)
?
- / - / -
0
518
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
519
OR8H1_HUMAN
9
63%
0.330
PF00001
33 -
(0)
?
- / - / -
0
520
OR4C3_HUMAN
2
52%
0.332
PF10413
41 -
(0)
?
- / - / -
0
521
OR4F6_HUMAN
2
31%
0.303
PF10413
38 -
(0)
?
- / - / -
0
522
OR1J1_HUMAN
6
37%
0.222
PF00001
46 -
(0)
?
- / - / -
0
523
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
524
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
525
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
526
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
527
T2R19_HUMAN
11
19%
0.230
PF00001
11 -
(0)
?
- / - / -
0
528
O10J4_HUMAN
6
31%
0.257
PF10413
47 -
(0)
?
- / - / -
0
529
ACKR1_HUMAN
9
37%
0.170
PF00001
14 -
(0)
?
- / - / -
0
530
GPR31_HUMAN
20
34%
0.329
PF10413
42 -
(0)
?
- / - / -
0
531
GP149_HUMAN
11
40%
0.296
PF02162
22 -
(0)
?
- / - / -
0
532
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
533
RXFP1_HUMAN
20
37%
0.281
PF13855
14 -
(0)
?
- / - / -
0
534
O4A47_HUMAN
13
26%
0.324
PF00001
22 -
(0)
?
- / - / -
0
535
OR5M9_HUMAN
7
33%
0.290
PF00001
42 -
(0)
?
- / - / -
0
536
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
537
OR2S1_HUMAN
3
44%
0.216
PF00001
81 -
(0)
?
- / - / -
0
538
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
539
OR5P2_HUMAN
13
29%
0.288
PF00001
28 -
(0)
?
- / - / -
0
540
OR6C6_HUMAN
1
32%
0.290
PF10413
22 -
(0)
?
- / - / -
0
541
GP158_HUMAN
0
26%
0.146
PF00066
1 -
(0)
?
- / - / -
0
542
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
543
O4C45_HUMAN
11
40%
0.289
PF00001
24 -
(0)
?
- / - / -
0
544
GLP1R_HUMAN
8
100%
0.622
PF02793
C5_S1
16 -
(0)
?
- /
1
/ -
0
545
RXFP2_HUMAN
20
38%
0.481
PF01582
5 -
(0)
?
- / - / -
0
546
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
547
OR6C2_HUMAN
4
34%
0.276
PF10413
30 -
(0)
?
- / - / -
0
548
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
549
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
550
OR6C4_HUMAN
3
61%
0.294
PF10413
38 -
(0)
?
- / - / -
0
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