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
OR5MA_HUMAN
0
31%
0.343
PF00001
69 -
(0)
?
- / - / -
0
151
5HT1F_HUMAN
20
46%
0.342
PF00001
161 -
(0)
?
- / - / -
0
152
O6C70_HUMAN
8
52%
0.342
PF00001
38 -
(0)
?
- / - / -
0
153
OR8J2_HUMAN
13
30%
0.342
PF00001
34 -
(0)
?
- / - / -
0
154
O5AC1_HUMAN
12
34%
0.342
PF00001
29 -
(0)
?
- / - / -
0
155
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
156
OR6Y1_HUMAN
6
40%
0.341
PF00001
54 -
(0)
?
- / - / -
0
157
O10A6_HUMAN
5
27%
0.340
PF00001
39 -
(0)
?
- / - / -
0
158
PF2R_HUMAN
5
31%
0.339
PF10413
46 -
(0)
?
- / - / -
0
159
T2R50_HUMAN
11
23%
0.339
PF00001
11 -
(0)
?
- / - / -
0
160
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
161
S1PR3_HUMAN
20
57%
0.338
PF00001
C1_S1
34 -
(0)
?
- /
1
/ -
0
162
O2AT4_HUMAN
5
30%
0.338
PF00001
40 -
(0)
?
- / - / -
0
163
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
164
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
165
OR9Q2_HUMAN
13
37%
0.336
PF00001
27 -
(0)
?
- / - / -
0
166
GP161_HUMAN
20
32%
0.336
PF00001
111 -
(0)
?
- / - / -
0
167
O2AP1_HUMAN
3
43%
0.335
PF00001
41 -
(0)
?
- / - / -
0
168
OR83P_HUMAN
11
37%
0.335
PF00001
32 -
(0)
?
- / - / -
0
169
OR6S1_HUMAN
6
34%
0.335
PF00001
36 -
(0)
?
- / - / -
0
170
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
171
OR1B1_HUMAN
7
35%
0.334
PF00001
82 -
(0)
?
- / - / -
0
172
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
173
OR4CD_HUMAN
10
30%
0.334
PF00001
40 -
(0)
?
- / - / -
0
174
OR2M3_HUMAN
3
50%
0.334
PF10413
45 -
(0)
?
- / - / -
0
175
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
176
OR4S2_HUMAN
12
27%
0.334
PF00001
29 -
(0)
?
- / - / -
0
177
5HT2B_HUMAN
21
77%
0.333
PF00001
127 -
(0)
1
- / - / -
0
178
OR4C3_HUMAN
2
52%
0.332
PF10413
41 -
(0)
?
- / - / -
0
179
OR4D2_HUMAN
5
27%
0.332
PF00001
50 -
(0)
?
- / - / -
0
180
OR1E2_HUMAN
6
28%
0.332
PF00001
77 -
(0)
?
- / - / -
0
181
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
182
AGRG4_HUMAN
8
24%
0.331
-
4 -
(0)
?
- / - / -
0
183
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
184
DRD5_HUMAN
34
40%
0.330
PF00001
C5_S1
196 -
(0)
10
- / - /
24
0
185
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
186
ADA1A_HUMAN
26
37%
0.330
PF00001
C5_S1
162 -
(0)
6
- / - /
2
0
187
OR8H1_HUMAN
9
63%
0.330
PF00001
33 -
(0)
?
- / - / -
0
188
OR8H3_HUMAN
7
31%
0.330
PF00001
35 -
(0)
?
- / - / -
0
189
OR2M7_HUMAN
4
29%
0.330
PF00001
42 -
(0)
?
- / - / -
0
190
OR5BH_HUMAN
6
40%
0.329
PF00001
27 -
(0)
?
- / - / -
0
191
GPR31_HUMAN
20
34%
0.329
PF10413
42 -
(0)
?
- / - / -
0
192
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
193
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
194
O4A16_HUMAN
13
30%
0.329
PF00001
38 -
(0)
?
- / - / -
0
195
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
196
OR2T2_HUMAN
5
37%
0.328
PF00001
25 -
(0)
?
- / - / -
0
197
O5H14_HUMAN
13
36%
0.328
PF00001
35 -
(0)
?
- / - / -
0
198
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
199
OR6K6_HUMAN
12
59%
0.328
PF00001
31 -
(0)
?
- / - / -
0
200
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(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