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
OR8K3_HUMAN
12
33%
0.382
PF00001
65 -
(0)
?
- / - / -
0
401
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
402
O52L2_HUMAN
12
28%
0.256
PF00001
42 -
(0)
?
- / - / -
0
403
O7E24_HUMAN
12
29%
0.260
PF00001
35 -
(0)
?
- / - / -
0
404
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
405
GPR37_HUMAN
11
30%
0.194
PF00001
32 -
(0)
?
- / - / -
0
406
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
407
O52Z1_HUMAN
11
33%
0.218
PF00001
46 -
(0)
?
- / - / -
0
408
GP157_HUMAN
11
38%
0.283
PF12109
35 -
(0)
?
- / - / -
0
409
T2R14_HUMAN
11
30%
0.194
PF00001
13 -
(0)
?
- / - / -
0
410
O10X1_HUMAN
11
46%
0.272
PF00001
35 -
(0)
?
- / - / -
0
411
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
412
OR8S1_HUMAN
11
39%
0.272
PF00001
29 -
(0)
?
- / - / -
0
413
TA2R3_HUMAN
11
23%
0.268
PF10413
23 -
(0)
?
- / - / -
0
414
OR6C1_HUMAN
11
31%
0.286
PF10413
26 -
(0)
?
- / - / -
0
415
VN1R5_HUMAN
11
25%
0.173
PF00001
13 -
(0)
?
- / - / -
0
416
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
417
O56B4_HUMAN
11
39%
0.172
PF00001
44 -
(0)
?
- / - / -
0
418
O51B2_HUMAN
11
33%
0.290
PF00001
36 -
(0)
?
- / - / -
0
419
GP149_HUMAN
11
40%
0.296
PF02162
22 -
(0)
?
- / - / -
0
420
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
421
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
422
T2R41_HUMAN
11
29%
0.252
PF00001
14 -
(0)
?
- / - / -
0
423
OR2G2_HUMAN
11
47%
0.247
PF00001
31 -
(0)
?
- / - / -
0
424
O13A1_HUMAN
11
38%
0.289
PF00001
43 -
(0)
?
- / - / -
0
425
OR5W2_HUMAN
11
38%
0.298
PF00001
32 -
(0)
?
- / - / -
0
426
O11H7_HUMAN
11
50%
0.186
PF00001
45 -
(0)
?
- / - / -
0
427
OR5K1_HUMAN
11
29%
0.306
PF00001
26 -
(0)
?
- / - / -
0
428
TA2R7_HUMAN
11
26%
0.291
PF00001
12 -
(0)
?
- / - / -
0
429
AGRD1_HUMAN
11
32%
0.387
PF07952
4 -
(0)
?
- / - / -
0
430
OR5A1_HUMAN
11
40%
0.271
PF00001
92 -
(0)
?
- / - / -
0
431
O51J1_HUMAN
11
40%
0.171
PF00959
16 -
(0)
?
- / - / -
0
432
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
433
OR3A1_HUMAN
11
30%
0.264
PF00001
48 -
(0)
?
- / - / -
0
434
O52W1_HUMAN
11
37%
0.273
PF00001
36 -
(0)
?
- / - / -
0
435
GP162_HUMAN
11
30%
0.245
PF00001
32 -
(0)
?
- / - / -
0
436
FFAR2_HUMAN
11
33%
0.268
PF00001
42 -
(0)
?
- / - / -
0
437
TA2R5_HUMAN
11
20%
0.228
PF00001
16 -
(0)
?
- / - / -
0
438
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
439
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
440
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
441
GPR56_HUMAN
11
27%
0.047
PF00001
13 -
(0)
?
- / - / -
0
442
VN1R3_HUMAN
11
24%
0.141
PF00001
12 -
(0)
?
- / - / -
0
443
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
444
VN1R4_HUMAN
11
29%
?
PF00001
12 -
(0)
?
- / - / -
0
445
T2R45_HUMAN
11
30%
0.244
PF00001
12 -
(0)
?
- / - / -
0
446
OR8K5_HUMAN
11
66%
0.188
PF00001
41 -
(0)
?
- / - / -
0
447
OR83P_HUMAN
11
37%
0.335
PF00001
32 -
(0)
?
- / - / -
0
448
OR6K3_HUMAN
11
60%
0.324
PF00001
44 -
(0)
?
- / - / -
0
449
TA2R4_HUMAN
11
28%
0.165
PF00001
10 -
(0)
?
- / - / -
0
450
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
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