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]
150
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
151
GP141_HUMAN
8
30%
0.358
PF00001
57 -
(0)
?
- / - / -
0
152
GP142_HUMAN
8
46%
0.283
PF00001
36 -
(0)
?
- / - / -
0
153
GP143_HUMAN
12
21%
0.286
PF00001
14 -
(0)
?
- / - / -
0
154
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
155
GP148_HUMAN
12
26%
0.311
PF00001
65 -
(0)
?
- / - / -
0
156
GP149_HUMAN
11
40%
0.296
PF02162
22 -
(0)
?
- / - / -
0
157
GP150_HUMAN
14
32%
0.280
PF00001
42 -
(0)
?
- / - / -
0
158
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
159
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
160
GP153_HUMAN
12
42%
0.299
PF00001
36 -
(0)
?
- / - / -
0
161
GP156_HUMAN
0
23%
0.241
PF07412
7 -
(0)
?
- / - / -
0
162
GP157_HUMAN
11
38%
0.283
PF12109
35 -
(0)
?
- / - / -
0
163
GP158_HUMAN
0
26%
0.146
PF00066
1 -
(0)
?
- / - / -
0
164
GP160_HUMAN
11
17%
0.300
PF00001
17 -
(0)
?
- / - / -
0
165
GP161_HUMAN
20
32%
0.336
PF00001
111 -
(0)
?
- / - / -
0
166
GP162_HUMAN
11
30%
0.245
PF00001
32 -
(0)
?
- / - / -
0
167
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
168
GP173_HUMAN
7
32%
0.229
PF00001
102 -
(0)
?
- / - / -
0
169
GP174_HUMAN
16
33%
0.262
PF00001
73 -
(0)
?
- / - / -
0
170
GP176_HUMAN
10
38%
0.273
PF10413
25 -
(0)
?
- / - / -
0
171
GP179_HUMAN
1
38%
0.509
PF00001
8 -
(0)
?
- / - / -
0
172
GP182_HUMAN
19
37%
0.247
PF00001
55 -
(0)
1
- / - / -
0
173
GP183_HUMAN
20
33%
0.263
PF00001
51 -
(0)
?
- / - / -
0
174
GPBAR_HUMAN
14
31%
0.359
PF10413
17 -
(0)
?
- / - / -
0
175
GPC5B_HUMAN
0
22%
0.291
PF00959
11 -
(0)
?
- / - / -
0
176
GPC5C_HUMAN
0
35%
0.079
PF02790
2 -
(0)
?
- / - / -
0
177
GPC5D_HUMAN
0
33%
0.094
PF00959
4 -
(0)
?
- / - / -
0
178
GPC6A_HUMAN
20
37%
0.389
PF07562
26 -
(0)
?
- / - / -
0
179
GPER1_HUMAN
18
39%
0.261
PF00001
47 -
(0)
?
- / - / -
0
180
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
181
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
182
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
183
GPR18_HUMAN
18
29%
0.288
PF00001
56 -
(0)
?
- / - / -
0
184
GPR19_HUMAN
20
35%
0.226
PF00001
81 -
(0)
?
- / - / -
0
185
GPR1_HUMAN
20
41%
0.283
PF00001
C4_S1
58 -
(0)
2
- / - /
2
0
186
GPR20_HUMAN
18
32%
0.221
PF00001
48 -
(0)
?
- / - / -
0
187
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
188
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
189
GPR25_HUMAN
20
34%
0.384
PF00001
55 -
(0)
?
- / - / -
0
190
GPR26_HUMAN
10
29%
0.256
PF00001
74 -
(0)
?
- / - / -
0
191
GPR27_HUMAN
7
32%
0.210
PF10413
80 -
(0)
?
- / - / -
0
192
GPR31_HUMAN
20
34%
0.329
PF10413
42 -
(0)
?
- / - / -
0
193
GPR32_HUMAN
18
32%
0.305
PF00001
48 -
(0)
?
- / - / -
0
194
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
195
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
196
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
197
GPR37_HUMAN
11
30%
0.194
PF00001
32 -
(0)
?
- / - / -
0
198
GPR39_HUMAN
19
38%
0.291
PF10413
27 -
(0)
?
- / - / -
0
199
GPR3_HUMAN
20
34%
0.292
PF00001
49 -
(0)
?
- / - / -
0
200
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
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