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]
400
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
401
O52H1_HUMAN
12
43%
0.177
PF00001
31 -
(0)
?
- / - / -
0
402
O13C4_HUMAN
6
59%
0.302
PF00001
32 -
(0)
?
- / - / -
0
403
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
404
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
405
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
406
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
407
ACKR1_HUMAN
9
37%
0.170
PF00001
14 -
(0)
?
- / - / -
0
408
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
409
OR5DE_HUMAN
13
52%
0.293
PF00001
36 -
(0)
?
- / - / -
0
410
NPSR1_HUMAN
20
33%
0.150
PF00001
77 -
(0)
?
- / - / -
0
411
HRH1_HUMAN
20
96%
0.204
PF00001
134 -
(0)
?
- / - / -
0
412
PACR_HUMAN
10
44%
0.214
PF00001
12 -
(0)
?
- / - / -
0
413
T2R40_HUMAN
11
37%
0.213
PF00001
14 -
(0)
?
- / - / -
0
414
FZD1_HUMAN
19
55%
0.444
PF01392
C4_S1
12 -
(0)
2
- / - /
5
0
415
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
416
NPY4R_HUMAN
20
33%
0.260
PF00001
58 -
(0)
?
- / - / -
0
417
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
418
OR6C4_HUMAN
3
61%
0.294
PF10413
38 -
(0)
?
- / - / -
0
419
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
420
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
421
OR6V1_HUMAN
12
36%
0.232
PF00001
46 -
(0)
?
- / - / -
0
422
CELR3_HUMAN
10
34%
0.394
PF08758
0 -
(0)
?
- / - / -
0
423
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
424
GPC6A_HUMAN
20
37%
0.389
PF07562
26 -
(0)
?
- / - / -
0
425
OR4A4_HUMAN
6
46%
0.243
PF10413
28 -
(0)
?
- / - / -
0
426
5HT1F_HUMAN
20
46%
0.342
PF00001
161 -
(0)
?
- / - / -
0
427
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
428
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
429
GP135_HUMAN
20
35%
0.287
PF10413
28 -
(0)
?
- / - / -
0
430
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
431
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
432
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
433
O56A5_HUMAN
11
27%
0.264
PF00001
33 -
(0)
?
- / - / -
0
434
O52I2_HUMAN
8
35%
0.294
PF00001
30 -
(0)
?
- / - / -
0
435
HRH2_HUMAN
21
38%
0.299
PF00001
237 -
(0)
1
- / - / -
0
436
HRH4_HUMAN
20
50%
0.245
PF00001
49 -
(0)
?
- / - / -
0
437
T2R60_HUMAN
13
26%
0.277
PF00001
23 -
(0)
?
- / - / -
0
438
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
439
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
440
O51Q1_HUMAN
5
28%
0.165
PF00001
81 -
(0)
?
- / - / -
0
441
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
442
OR3A4_HUMAN
14
31%
0.240
PF00001
36 -
(0)
?
- / - / -
0
443
PTH1R_HUMAN
1
42%
0.514
PF02793
16 -
(0)
?
- / - / -
0
444
O6C65_HUMAN
7
42%
0.270
PF00001
51 -
(0)
?
- / - / -
0
445
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
446
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
447
GP156_HUMAN
0
23%
0.241
PF07412
7 -
(0)
?
- / - / -
0
448
VN1R3_HUMAN
11
24%
0.141
PF00001
12 -
(0)
?
- / - / -
0
449
O10D4_HUMAN
12
33%
0.262
PF00001
53 -
(0)
?
- / - / -
0
450
CNR1_HUMAN
20
95%
0.245
PF00001
84 -
(0)
?
- / - / -
0
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