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]
100
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
101
5HT1D_HUMAN
26
55%
0.281
PF00001
C4_S1
198 -
(0)
6
- / - /
4
0
102
OR9I1_HUMAN
13
55%
0.284
PF00001
32 -
(0)
?
- / - / -
0
103
FZD1_HUMAN
19
55%
0.444
PF01392
C4_S1
12 -
(0)
2
- / - /
5
0
104
AGRB2_HUMAN
8
55%
0.353
PF00090
9 -
(0)
1
- / - / -
0
105
O13C3_HUMAN
9
54%
0.304
PF10413
39 -
(0)
?
- / - / -
0
106
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
107
O10V1_HUMAN
2
54%
0.251
PF00001
38 -
(0)
?
- / - / -
0
108
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
109
O5AR1_HUMAN
11
54%
0.295
PF00001
25 -
(0)
?
- / - / -
0
110
S1PR2_HUMAN
20
54%
0.257
PF00001
C3_S1
38 -
(0)
?
- / - /
1
0
111
AA1R_HUMAN
28
53%
0.383
PF00001
C5_S1
223 -
(0)
6
- / - /
7
0
112
ADA2B_HUMAN
20
53%
0.368
PF00001
114 -
(0)
?
- / - / -
0
113
O11L1_HUMAN
1
53%
0.312
PF00001
74 -
(0)
?
- / - / -
0
114
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
115
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
116
OR9G4_HUMAN
8
52%
0.304
PF00001
59 -
(0)
?
- / - / -
0
117
OR4C3_HUMAN
2
52%
0.332
PF10413
41 -
(0)
?
- / - / -
0
118
MRGRF_HUMAN
13
52%
0.119
PF00001
33 -
(0)
?
- / - / -
0
119
O6C70_HUMAN
8
52%
0.342
PF00001
38 -
(0)
?
- / - / -
0
120
OR5DE_HUMAN
13
52%
0.293
PF00001
36 -
(0)
?
- / - / -
0
121
FZD10_HUMAN
17
52%
0.615
PF01392
C6_S1
15 -
(0)
2
- / - /
1
0
122
S1PR5_HUMAN
10
51%
0.395
PF00001
C4_S1
36 -
(0)
?
- / - /
1
0
123
AGRE3_HUMAN
7
51%
0.501
PF00089
0 -
(0)
?
- / - / -
0
124
DRD4_HUMAN
20
51%
0.232
PF00001
152 -
(0)
?
- / - / -
0
125
GLP2R_HUMAN
7
51%
0.298
PF00001
20 -
(0)
?
- / - / -
0
126
OR2H2_HUMAN
5
50%
0.265
PF10413
40 -
(0)
?
- / - / -
0
127
OR6T1_HUMAN
7
50%
0.315
PF00001
39 -
(0)
?
- / - / -
0
128
O10K2_HUMAN
7
50%
0.326
PF00001
35 -
(0)
?
- / - / -
0
129
O56A1_HUMAN
2
50%
0.256
PF00001
92 -
(0)
?
- / - / -
0
130
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
131
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
132
OR4F3_HUMAN
4
50%
0.192
PF10413
24 -
(0)
?
- / - / -
0
133
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
134
OR2M3_HUMAN
3
50%
0.334
PF10413
45 -
(0)
?
- / - / -
0
135
O4F21_HUMAN
4
50%
0.174
PF10413
24 -
(0)
?
- / - / -
0
136
OR1S1_HUMAN
8
50%
0.255
PF00001
32 -
(0)
?
- / - / -
0
137
O11H7_HUMAN
11
50%
0.186
PF00001
45 -
(0)
?
- / - / -
0
138
O56A3_HUMAN
8
50%
0.252
PF00001
55 -
(0)
?
- / - / -
0
139
TAAR3_HUMAN
20
50%
0.301
PF00001
74 -
(0)
?
- / - / -
0
140
O56A4_HUMAN
9
50%
0.258
PF00001
35 -
(0)
?
- / - / -
0
141
HRH4_HUMAN
20
50%
0.245
PF00001
49 -
(0)
?
- / - / -
0
142
O56B2_HUMAN
13
50%
0.262
PF00001
53 -
(0)
?
- / - / -
0
143
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
144
OR5K2_HUMAN
13
48%
0.243
PF00001
34 -
(0)
?
- / - / -
0
145
OR5BL_HUMAN
4
48%
0.297
PF10413
29 -
(0)
?
- / - / -
0
146
SCTR_HUMAN
8
48%
0.252
PF00001
13 -
(0)
?
- / - / -
0
147
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
148
OR2B8_HUMAN
5
48%
0.280
PF10413
37 -
(0)
?
- / - / -
0
149
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
150
AGRF4_HUMAN
5
47%
0.142
PF00001
8 -
(0)
?
- / - / -
0
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