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
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
201
GPR45_HUMAN
20
38%
0.285
PF00001
76 -
(0)
3
- / - / -
0
202
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
203
GPR52_HUMAN
20
37%
0.293
PF00001
110 -
(0)
?
- / - / -
0
204
GPR55_HUMAN
14
33%
0.271
PF00001
36 -
(0)
?
- / - / -
0
205
GPR56_HUMAN
11
27%
0.047
PF00001
13 -
(0)
?
- / - / -
0
206
GPR61_HUMAN
19
26%
0.289
PF00001
85 -
(0)
?
- / - / -
0
207
GPR62_HUMAN
10
39%
0.361
PF00001
40 -
(0)
?
- / - / -
0
208
GPR63_HUMAN
20
38%
0.197
PF00001
C3_S1
74 -
(0)
5
- / - /
3
0
209
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
210
GPR75_HUMAN
13
33%
0.181
PF10413
19 -
(0)
?
- / - / -
0
211
GPR78_HUMAN
10
31%
0.280
PF00001
81 -
(0)
?
- / - / -
0
212
GPR82_HUMAN
16
38%
0.238
PF00001
44 -
(0)
?
- / - / -
0
213
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
214
GPR84_HUMAN
12
35%
0.315
PF00001
62 -
(0)
?
- / - / -
0
215
GPR85_HUMAN
10
38%
0.235
PF00001
88 -
(0)
?
- / - / -
0
216
GPR87_HUMAN
20
40%
0.263
PF12109
42 -
(0)
?
- / - / -
0
217
GPR88_HUMAN
9
41%
0.246
PF00001
67 -
(0)
?
- / - / -
0
218
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
219
GRM1_HUMAN
26
99%
0.555
PF07562
C1_S1
35 -
(0)
11
- /
3
/
10
7
220
GRM2_HUMAN
32
99%
0.550
PF07562
C1_S1
47 -
(0)
20
- /
7
/
23
10
221
GRM3_HUMAN
35
99%
0.507
PF07562
C1_S1
37 -
(0)
17
- /
6
/
18
9
222
GRM4_HUMAN
28
68%
0.539
PF07562
C1_S1
44 -
(0)
19
- /
4
/
18
10
223
GRM5_HUMAN
27
99%
0.555
PF07562
C1_S1
37 -
(0)
11
- /
3
/
10
7
224
GRM6_HUMAN
30
66%
0.493
PF07562
C1_S1
43 -
(0)
20
- /
4
/
20
10
225
GRM7_HUMAN
25
99%
0.569
PF07562
C1_S1
44 -
(0)
19
- /
3
/
19
10
226
GRM8_HUMAN
32
71%
0.523
PF07562
C2_S1
45 -
(0)
20
- /
4
/
21
10
227
GRPR_HUMAN
20
36%
0.216
PF00001
39 -
(0)
?
- / - / -
0
228
HCAR1_HUMAN
19
31%
0.159
PF00001
66 -
(0)
?
- / - / -
0
229
HCAR2_HUMAN
19
34%
0.229
PF00001
72 -
(0)
?
- / - / -
0
230
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
231
HRH1_HUMAN
20
96%
0.204
PF00001
134 -
(0)
?
- / - / -
0
232
HRH2_HUMAN
21
38%
0.299
PF00001
237 -
(0)
1
- / - / -
0
233
HRH3_HUMAN
20
40%
0.257
PF00001
C1_S1
59 -
(0)
2
- / - /
2
0
234
HRH4_HUMAN
20
50%
0.245
PF00001
49 -
(0)
?
- / - / -
0
235
KISSR_HUMAN
20
36%
0.289
PF00001
42 -
(0)
?
- / - / -
0
236
LGR4_HUMAN
19
100%
0.407
PF01462
23 -
(0)
?
- / - / -
0
237
LGR5_HUMAN
19
100%
0.446
PF01462
24 -
(0)
4
- / - / -
0
238
LGR6_HUMAN
19
62%
0.388
PF01462
29 -
(0)
?
- / - / -
0
239
LPAR1_HUMAN
20
100%
0.290
PF00001
27 -
(0)
?
- / - / -
0
240
LPAR2_HUMAN
20
56%
0.272
PF00001
43 -
(0)
?
- / - / -
0
241
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
242
LPAR4_HUMAN
20
35%
0.184
PF00001
58 -
(0)
?
- / - / -
0
243
LPAR5_HUMAN
20
32%
0.313
PF00001
58 -
(0)
?
- / - / -
0
244
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
245
LSHR_HUMAN
6
22%
0.297
PF10413
23 -
(0)
?
- / - / -
0
246
LT4R1_HUMAN
20
31%
0.313
PF00001
60 -
(0)
?
- / - / -
0
247
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
248
MAS1L_HUMAN
12
32%
0.281
PF00001
18 -
(0)
?
- / - / -
0
249
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
250
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
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