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
AGRF2_HUMAN
12
30%
0.287
PF00001
13 -
(0)
?
- / - / -
0
401
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
402
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
403
OR6C1_HUMAN
11
31%
0.286
PF10413
26 -
(0)
?
- / - / -
0
404
OR4KE_HUMAN
2
61%
0.286
PF10413
42 -
(0)
?
- / - / -
0
405
T2R20_HUMAN
11
22%
0.286
PF00001
14 -
(0)
?
- / - / -
0
406
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
407
GP143_HUMAN
12
21%
0.286
PF00001
14 -
(0)
?
- / - / -
0
408
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
409
O13H1_HUMAN
5
35%
0.285
PF00001
42 -
(0)
?
- / - / -
0
410
C5AR2_HUMAN
14
35%
0.285
PF12109
43 -
(0)
?
- / - / -
0
411
OR6B1_HUMAN
13
29%
0.285
PF10413
60 -
(0)
?
- / - / -
0
412
5HT1A_HUMAN
20
41%
0.285
PF00001
C4_S1
145 -
(0)
2
- / - /
2
0
413
GPR45_HUMAN
20
38%
0.285
PF00001
76 -
(0)
3
- / - / -
0
414
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
415
O14K1_HUMAN
5
47%
0.284
PF00001
69 -
(0)
?
- / - / -
0
416
OR9I1_HUMAN
13
55%
0.284
PF00001
32 -
(0)
?
- / - / -
0
417
S1PR1_HUMAN
20
99%
0.284
PF00001
C2_S1
40 -
(0)
?
- /
1
/ -
0
418
CXCR6_HUMAN
20
47%
0.284
PF00001
73 -
(0)
?
- / - / -
0
419
GP157_HUMAN
11
38%
0.283
PF12109
35 -
(0)
?
- / - / -
0
420
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
421
MTR1L_HUMAN
20
34%
0.283
PF00001
88 -
(0)
?
- / - / -
0
422
GPR1_HUMAN
20
41%
0.283
PF00001
C4_S1
58 -
(0)
2
- / - /
2
0
423
GP142_HUMAN
8
46%
0.283
PF00001
36 -
(0)
?
- / - / -
0
424
O11H6_HUMAN
9
20%
0.283
PF00001
13 -
(0)
?
- / - / -
0
425
OR2BB_HUMAN
0
33%
0.283
PF00001
69 -
(0)
?
- / - / -
0
426
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
427
OR2T7_HUMAN
4
36%
0.282
PF00001
73 -
(0)
?
- / - / -
0
428
RL3R2_HUMAN
15
34%
0.282
PF00001
52 -
(0)
?
- / - / -
0
429
OPN3_HUMAN
20
32%
0.282
PF10413
80 -
(0)
1
- / - / -
0
430
OR1N2_HUMAN
7
33%
0.282
PF00001
38 -
(0)
?
- / - / -
0
431
OR4A5_HUMAN
12
42%
0.282
PF00001
50 -
(0)
?
- / - / -
0
432
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
433
RXFP1_HUMAN
20
37%
0.281
PF13855
14 -
(0)
?
- / - / -
0
434
MAS1L_HUMAN
12
32%
0.281
PF00001
18 -
(0)
?
- / - / -
0
435
OR6X1_HUMAN
7
29%
0.281
PF00001
53 -
(0)
?
- / - / -
0
436
5HT1B_HUMAN
22
76%
0.281
PF00001
C5_S1
174 -
(0)
3
- /
2
/
1
0
437
5HT1D_HUMAN
26
55%
0.281
PF00001
C4_S1
198 -
(0)
6
- / - /
4
0
438
O5AL1_HUMAN
12
33%
0.281
PF00001
46 -
(0)
?
- / - / -
0
439
OR2B8_HUMAN
5
48%
0.280
PF10413
37 -
(0)
?
- / - / -
0
440
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
441
GPR78_HUMAN
10
31%
0.280
PF00001
81 -
(0)
?
- / - / -
0
442
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
443
O13J1_HUMAN
9
44%
0.279
PF00001
41 -
(0)
?
- / - / -
0
444
O6C74_HUMAN
3
40%
0.279
PF00001
32 -
(0)
?
- / - / -
0
445
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
446
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
447
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
448
TAAR6_HUMAN
20
34%
0.278
PF00001
209 -
(0)
?
- / - / -
0
449
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
450
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
/ 17
>>
- Show
50
100
250
500
All