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
GPR26_HUMAN
10
29%
0.256
PF00001
74 -
(0)
?
- / - / -
0
101
OR8G5_HUMAN
11
31%
0.273
PF00001
36 -
(0)
?
- / - / -
0
102
OR8G1_HUMAN
6
31%
0.292
PF00001
57 -
(0)
?
- / - / -
0
103
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
104
T2R30_HUMAN
5
29%
0.254
PF00001
19 -
(0)
?
- / - / -
0
105
O10X1_HUMAN
11
46%
0.272
PF00001
35 -
(0)
?
- / - / -
0
106
O5AC1_HUMAN
12
34%
0.342
PF00001
29 -
(0)
?
- / - / -
0
107
O2T33_HUMAN
6
27%
0.274
PF00001
41 -
(0)
?
- / - / -
0
108
O2AK2_HUMAN
13
30%
0.170
PF00001
39 -
(0)
?
- / - / -
0
109
O14I1_HUMAN
12
34%
0.352
PF10413
33 -
(0)
?
- / - / -
0
110
PAR1_HUMAN
20
35%
0.203
PF00001
49 -
(0)
?
- / - / -
0
111
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
112
OR7G1_HUMAN
5
38%
0.205
PF00001
46 -
(0)
?
- / - / -
0
113
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
114
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
115
O13C5_HUMAN
2
45%
0.187
PF10413
44 -
(0)
?
- / - / -
0
116
OR6A2_HUMAN
12
33%
0.278
PF00001
35 -
(0)
?
- / - / -
0
117
LPAR2_HUMAN
20
56%
0.272
PF00001
43 -
(0)
?
- / - / -
0
118
O52B6_HUMAN
4
34%
0.278
PF00001
81 -
(0)
?
- / - / -
0
119
O10A7_HUMAN
7
28%
0.288
PF00001
32 -
(0)
?
- / - / -
0
120
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
121
AGRG2_HUMAN
13
30%
0.149
PF00001
15 -
(0)
?
- / - / -
0
122
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
123
OR1M1_HUMAN
4
35%
0.298
PF00001
39 -
(0)
?
- / - / -
0
124
OR6C6_HUMAN
1
32%
0.290
PF10413
22 -
(0)
?
- / - / -
0
125
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
126
CNR1_HUMAN
20
95%
0.245
PF00001
84 -
(0)
?
- / - / -
0
127
OR2BB_HUMAN
0
33%
0.283
PF00001
69 -
(0)
?
- / - / -
0
128
O13C6_HUMAN
8
29%
0.209
PF00001
22 -
(0)
?
- / - / -
0
129
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
130
OR2H1_HUMAN
2
44%
0.235
PF10413
59 -
(0)
?
- / - / -
0
131
O52E4_HUMAN
7
33%
0.271
PF00001
45 -
(0)
?
- / - / -
0
132
GPR32_HUMAN
18
32%
0.305
PF00001
48 -
(0)
?
- / - / -
0
133
O13C8_HUMAN
4
40%
0.160
PF10413
62 -
(0)
?
- / - / -
0
134
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
135
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
136
OR8B2_HUMAN
13
42%
0.295
PF00001
34 -
(0)
?
- / - / -
0
137
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
138
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
139
AGRE4_HUMAN
11
26%
0.122
PF00001
12 -
(0)
?
- / - / -
0
140
GP101_HUMAN
20
36%
0.166
PF00001
41 -
(0)
?
- / - / -
0
141
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
142
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
143
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
144
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
145
GP176_HUMAN
10
38%
0.273
PF10413
25 -
(0)
?
- / - / -
0
146
OR5DD_HUMAN
12
57%
0.261
PF00001
29 -
(0)
?
- / - / -
0
147
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
148
O10J4_HUMAN
6
31%
0.257
PF10413
47 -
(0)
?
- / - / -
0
149
PAR2_HUMAN
18
36%
0.249
PF00001
59 -
(0)
?
- / - / -
0
150
T2R14_HUMAN
11
30%
0.194
PF00001
13 -
(0)
?
- / - / -
0
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