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]
50
FZD5_HUMAN
21
83%
0.220
PF01392
C2_S1
13 -
(0)
3
- / - /
3
0
51
ADRB3_HUMAN
32
80%
0.322
PF00001
C3_S1
285 -
(0)
10
- / - /
21
0
52
ACM5_HUMAN
20
78%
0.220
PF00001
C2_S1
47 -
(0)
1
- /
1
/ -
1
53
5HT2B_HUMAN
21
77%
0.333
PF00001
127 -
(0)
1
- / - / -
0
54
5HT1B_HUMAN
22
76%
0.281
PF00001
C5_S1
174 -
(0)
3
- /
2
/
1
0
55
O10P1_HUMAN
6
76%
0.349
PF00001
28 -
(0)
?
- / - / -
0
56
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
57
GRM8_HUMAN
32
71%
0.523
PF07562
C2_S1
45 -
(0)
20
- /
4
/
21
10
58
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
59
OR6B3_HUMAN
13
70%
0.296
PF00001
36 -
(0)
?
- / - / -
0
60
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
61
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
62
GRM4_HUMAN
28
68%
0.539
PF07562
C1_S1
44 -
(0)
19
- /
4
/
18
10
63
OR4CF_HUMAN
9
66%
0.225
PF00001
33 -
(0)
?
- / - / -
0
64
GRM6_HUMAN
30
66%
0.493
PF07562
C1_S1
43 -
(0)
20
- /
4
/
20
10
65
OR8K5_HUMAN
11
66%
0.188
PF00001
41 -
(0)
?
- / - / -
0
66
CALCR_HUMAN
9
65%
0.408
PF02793
C4_S1
7 -
(0)
3
- /
3
/ -
2
67
AGRB3_HUMAN
9
64%
0.402
PF00090
13 -
(0)
?
- / - / -
0
68
BAI1_HUMAN
12
64%
0.409
PF00090
13 -
(0)
1
- / - / -
0
69
OR2T1_HUMAN
13
63%
0.307
PF00001
35 -
(0)
?
- / - / -
0
70
OR8H1_HUMAN
9
63%
0.330
PF00001
33 -
(0)
?
- / - / -
0
71
AA2BR_HUMAN
33
63%
0.403
PF00001
C2_S1
261 -
(0)
6
- / - /
3
0
72
ACM1_HUMAN
20
63%
0.264
PF00001
C3_S1
43 -
(0)
6
- /
7
/ -
3
73
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
74
LGR6_HUMAN
19
62%
0.388
PF01462
29 -
(0)
?
- / - / -
0
75
OR4KE_HUMAN
2
61%
0.286
PF10413
42 -
(0)
?
- / - / -
0
76
OR6C4_HUMAN
3
61%
0.294
PF10413
38 -
(0)
?
- / - / -
0
77
OR6K3_HUMAN
11
60%
0.324
PF00001
44 -
(0)
?
- / - / -
0
78
O10Z1_HUMAN
9
59%
0.265
PF00001
40 -
(0)
?
- / - / -
0
79
O13C4_HUMAN
6
59%
0.302
PF00001
32 -
(0)
?
- / - / -
0
80
OR6K6_HUMAN
12
59%
0.328
PF00001
31 -
(0)
?
- / - / -
0
81
OR6Q1_HUMAN
9
59%
0.289
PF00001
44 -
(0)
?
- / - / -
0
82
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
83
GIPR_HUMAN
10
59%
0.352
PF00001
C3_S1
15 -
(0)
?
- / - /
1
0
84
NK2R_HUMAN
20
58%
0.306
PF00001
39 -
(0)
?
- / - / -
0
85
O2AJ1_HUMAN
3
58%
0.254
PF00001
32 -
(0)
?
- / - / -
0
86
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
87
5HT2A_HUMAN
30
57%
0.356
PF00001
C6_S1
185 -
(0)
7
- / - /
6
0
88
OR5H2_HUMAN
13
57%
0.345
PF10413
24 -
(0)
?
- / - / -
0
89
OR2M4_HUMAN
4
57%
0.370
PF10413
C1_S1
41 -
(0)
?
- / - /
1
0
90
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
91
S1PR3_HUMAN
20
57%
0.338
PF00001
C1_S1
34 -
(0)
?
- /
1
/ -
0
92
O5H15_HUMAN
10
57%
0.292
PF00001
31 -
(0)
?
- / - / -
0
93
FZD2_HUMAN
18
57%
0.435
PF01392
C5_S1
14 -
(0)
2
- / - /
3
0
94
OR5DD_HUMAN
12
57%
0.261
PF00001
29 -
(0)
?
- / - / -
0
95
TA2R9_HUMAN
11
57%
0.272
PF12109
17 -
(0)
?
- / - / -
0
96
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
97
O52M1_HUMAN
13
56%
0.320
PF00001
54 -
(0)
?
- / - / -
0
98
OR4S1_HUMAN
7
56%
0.219
PF00001
46 -
(0)
?
- / - / -
0
99
FZD7_HUMAN
13
56%
0.467
PF01392
13 -
(0)
?
- / - / -
0
100
LPAR2_HUMAN
20
56%
0.272
PF00001
43 -
(0)
?
- / - / -
0
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