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]
200
P2Y12_HUMAN
19
100%
0.290
PF00001
67 -
(0)
?
- / - / -
0
201
V1AR_HUMAN
19
35%
0.241
PF00001
45 -
(0)
?
- / - / -
0
202
HCAR1_HUMAN
19
31%
0.159
PF00001
66 -
(0)
?
- / - / -
0
203
NPY1R_HUMAN
19
31%
0.207
PF10413
41 -
(0)
2
- / - / -
0
204
RL3R1_HUMAN
19
36%
0.243
PF00001
58 -
(0)
?
- / - / -
0
205
GPR61_HUMAN
19
26%
0.289
PF00001
85 -
(0)
?
- / - / -
0
206
GP182_HUMAN
19
37%
0.247
PF00001
55 -
(0)
1
- / - / -
0
207
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
208
S1PR4_HUMAN
19
41%
0.321
PF00001
C5_S1
32 -
(0)
?
- / - /
1
0
209
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
210
GPR39_HUMAN
19
38%
0.291
PF10413
27 -
(0)
?
- / - / -
0
211
LGR4_HUMAN
19
100%
0.407
PF01462
23 -
(0)
?
- / - / -
0
212
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
213
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
214
P2RY8_HUMAN
19
33%
0.242
PF00001
86 -
(0)
1
- / - / -
0
215
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
216
PAR2_HUMAN
18
36%
0.249
PF00001
59 -
(0)
?
- / - / -
0
217
CD97_HUMAN
18
85%
0.367
PF00084
1 -
(0)
?
- / - / -
0
218
PD2R2_HUMAN
18
32%
0.327
PF00001
65 -
(0)
?
- / - / -
0
219
OXYR_HUMAN
18
39%
0.273
PF10413
56 -
(0)
?
- / - / -
0
220
GPER1_HUMAN
18
39%
0.261
PF00001
47 -
(0)
?
- / - / -
0
221
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
222
AGRE2_HUMAN
18
86%
0.354
PF00084
1 -
(0)
?
- / - / -
0
223
GPR32_HUMAN
18
32%
0.305
PF00001
48 -
(0)
?
- / - / -
0
224
GP124_HUMAN
18
41%
0.268
PF01582
30 -
(0)
?
- / - / -
0
225
GPR20_HUMAN
18
32%
0.221
PF00001
48 -
(0)
?
- / - / -
0
226
FZD2_HUMAN
18
57%
0.435
PF01392
C5_S1
14 -
(0)
2
- / - /
3
0
227
GPR18_HUMAN
18
29%
0.288
PF00001
56 -
(0)
?
- / - / -
0
228
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
229
CCKAR_HUMAN
17
39%
0.247
PF10413
37 -
(0)
?
- / - / -
0
230
FPR3_HUMAN
17
33%
0.228
PF00001
C2_S1
52 -
(0)
1
- / - /
1
0
231
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
232
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
233
FZD10_HUMAN
17
52%
0.615
PF01392
C6_S1
15 -
(0)
2
- / - /
1
0
234
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
235
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
236
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
237
GPR82_HUMAN
16
38%
0.238
PF00001
44 -
(0)
?
- / - / -
0
238
GP174_HUMAN
16
33%
0.262
PF00001
73 -
(0)
?
- / - / -
0
239
SMO_HUMAN
16
100%
0.319
PF01392
C1_S1
13 -
(0)
2
1
/ - / -
0
240
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
241
AGRF5_HUMAN
16
34%
0.252
PF07686
20 -
(0)
?
- / - / -
0
242
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
243
FZD4_HUMAN
16
100%
0.551
PF01392
12 -
(0)
2
- / - / -
0
244
PTAFR_HUMAN
16
43%
0.190
PF00001
65 -
(0)
1
- / - / -
0
245
AGRA3_HUMAN
16
46%
0.387
PF01462
21 -
(0)
?
- / - / -
0
246
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
247
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
248
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
249
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
250
AGRL1_HUMAN
15
97%
0.609
PF02793
2 -
(0)
1
- / - / -
0
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