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
OR2W5_HUMAN
10
28%
0.198
PF00001
53 -
(0)
?
- / - / -
0
501
GP176_HUMAN
10
38%
0.273
PF10413
25 -
(0)
?
- / - / -
0
502
OR4DA_HUMAN
10
35%
0.299
PF00001
43 -
(0)
?
- / - / -
0
503
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
504
OR4CD_HUMAN
10
30%
0.334
PF00001
40 -
(0)
?
- / - / -
0
505
O10AC_HUMAN
10
31%
0.322
PF00001
16 -
(0)
?
- / - / -
0
506
O52N2_HUMAN
10
31%
0.241
PF00001
117 -
(0)
?
- / - / -
0
507
GLR_HUMAN
10
99%
0.321
PF00001
C3_S1
16 -
(0)
2
- /
1
/
1
0
508
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
509
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
510
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
511
GPR62_HUMAN
10
39%
0.361
PF00001
40 -
(0)
?
- / - / -
0
512
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
513
O10J6_HUMAN
10
36%
0.116
PF00001
58 -
(0)
?
- / - / -
0
514
OR8U1_HUMAN
10
39%
0.355
PF00001
45 -
(0)
?
- / - / -
0
515
CELR3_HUMAN
10
34%
0.394
PF08758
0 -
(0)
?
- / - / -
0
516
PACR_HUMAN
10
44%
0.214
PF00001
12 -
(0)
?
- / - / -
0
517
GPR78_HUMAN
10
31%
0.280
PF00001
81 -
(0)
?
- / - / -
0
518
CELR2_HUMAN
10
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
519
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
520
O52K2_HUMAN
10
35%
0.377
PF00001
42 -
(0)
?
- / - / -
0
521
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
522
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
523
S1PR5_HUMAN
10
51%
0.395
PF00001
C4_S1
36 -
(0)
?
- / - /
1
0
524
O12D2_HUMAN
10
32%
0.303
PF00001
34 -
(0)
?
- / - / -
0
525
GPR85_HUMAN
10
38%
0.235
PF00001
88 -
(0)
?
- / - / -
0
526
O13G1_HUMAN
10
35%
0.245
PF10413
43 -
(0)
?
- / - / -
0
527
OR8H1_HUMAN
9
63%
0.330
PF00001
33 -
(0)
?
- / - / -
0
528
O10Q1_HUMAN
9
32%
0.263
PF00001
25 -
(0)
?
- / - / -
0
529
OR4M1_HUMAN
9
31%
0.276
PF00001
34 -
(0)
?
- / - / -
0
530
O51M1_HUMAN
9
36%
0.202
PF10413
26 -
(0)
?
- / - / -
0
531
OR4CF_HUMAN
9
66%
0.225
PF00001
33 -
(0)
?
- / - / -
0
532
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
533
O5AK3_HUMAN
9
28%
0.271
PF00001
35 -
(0)
?
- / - / -
0
534
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
535
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
536
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
537
O56A4_HUMAN
9
50%
0.258
PF00001
35 -
(0)
?
- / - / -
0
538
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
539
OR6K2_HUMAN
9
46%
0.215
PF00001
34 -
(0)
?
- / - / -
0
540
O13J1_HUMAN
9
44%
0.279
PF00001
41 -
(0)
?
- / - / -
0
541
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
542
AGRB3_HUMAN
9
64%
0.402
PF00090
13 -
(0)
?
- / - / -
0
543
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
544
O52K1_HUMAN
9
33%
0.390
PF00001
53 -
(0)
?
- / - / -
0
545
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
546
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
547
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
548
OR1S2_HUMAN
9
46%
0.226
PF00001
41 -
(0)
?
- / - / -
0
549
OR5B3_HUMAN
9
42%
0.369
PF00001
33 -
(0)
?
- / - / -
0
550
TA2R8_HUMAN
9
24%
0.126
PF00001
23 -
(0)
?
- / - / -
0
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