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]
350
GP157_HUMAN
11
38%
0.283
PF12109
35 -
(0)
?
- / - / -
0
351
CCR10_HUMAN
20
38%
0.369
PF00001
65 -
(0)
?
- / - / -
0
352
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
353
OR4K5_HUMAN
6
31%
0.230
PF00001
50 -
(0)
?
- / - / -
0
354
5HT1F_HUMAN
20
46%
0.342
PF00001
161 -
(0)
?
- / - / -
0
355
OR1Q1_HUMAN
8
33%
0.198
PF00001
46 -
(0)
?
- / - / -
0
356
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
357
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
358
OR8J3_HUMAN
13
32%
0.288
PF00001
29 -
(0)
?
- / - / -
0
359
GNRHR_HUMAN
4
40%
0.251
PF00001
68 -
(0)
?
- / - / -
0
360
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
361
S1PR4_HUMAN
19
41%
0.321
PF00001
C5_S1
32 -
(0)
?
- / - /
1
0
362
O56A3_HUMAN
8
50%
0.252
PF00001
55 -
(0)
?
- / - / -
0
363
O11A1_HUMAN
0
31%
0.304
PF00001
109 -
(0)
?
- / - / -
0
364
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
365
O56B4_HUMAN
11
39%
0.172
PF00001
44 -
(0)
?
- / - / -
0
366
O10R2_HUMAN
12
33%
0.278
PF00001
25 -
(0)
?
- / - / -
0
367
O13C6_HUMAN
8
29%
0.209
PF00001
22 -
(0)
?
- / - / -
0
368
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
369
O52I1_HUMAN
13
33%
0.319
PF00001
46 -
(0)
?
- / - / -
0
370
O13D1_HUMAN
3
42%
0.263
PF10413
25 -
(0)
?
- / - / -
0
371
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
372
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
373
O10S1_HUMAN
13
40%
0.251
PF00001
52 -
(0)
?
- / - / -
0
374
GPC5C_HUMAN
0
35%
0.079
PF02790
2 -
(0)
?
- / - / -
0
375
O52N5_HUMAN
12
34%
0.393
PF00001
35 -
(0)
?
- / - / -
0
376
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
377
O10J4_HUMAN
6
31%
0.257
PF10413
47 -
(0)
?
- / - / -
0
378
OR4D2_HUMAN
5
27%
0.332
PF00001
50 -
(0)
?
- / - / -
0
379
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
380
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
381
OR4K3_HUMAN
6
41%
0.230
PF10413
41 -
(0)
?
- / - / -
0
382
O2AP1_HUMAN
3
43%
0.335
PF00001
41 -
(0)
?
- / - / -
0
383
OR9A1_HUMAN
11
41%
0.163
PF00001
54 -
(0)
?
- / - / -
0
384
GPR56_HUMAN
11
27%
0.047
PF00001
13 -
(0)
?
- / - / -
0
385
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
386
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
387
OR9Q1_HUMAN
4
43%
0.290
PF10413
36 -
(0)
?
- / - / -
0
388
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
389
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
390
OR7AH_HUMAN
11
33%
0.226
PF00001
40 -
(0)
?
- / - / -
0
391
OR8BC_HUMAN
13
33%
0.175
PF00001
34 -
(0)
?
- / - / -
0
392
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
393
O2T11_HUMAN
3
38%
0.356
PF00001
83 -
(0)
?
- / - / -
0
394
PD2R2_HUMAN
18
32%
0.327
PF00001
65 -
(0)
?
- / - / -
0
395
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
396
OR4P4_HUMAN
13
40%
0.212
PF00001
54 -
(0)
?
- / - / -
0
397
O51L1_HUMAN
11
32%
0.273
PF00001
50 -
(0)
?
- / - / -
0
398
ACM3_HUMAN
20
98%
0.237
PF00001
83 -
(0)
?
- / - / -
0
399
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
400
AGRG3_HUMAN
7
30%
0.103
PF00001
10 -
(0)
?
- / - / -
0
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