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]
250
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
251
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
252
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
253
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
254
MCHR2_HUMAN
20
41%
0.257
PF00001
87 -
(0)
?
- / - / -
0
255
MRGRD_HUMAN
14
40%
0.212
PF00001
36 -
(0)
?
- / - / -
0
256
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
257
MRGRF_HUMAN
13
52%
0.119
PF00001
33 -
(0)
?
- / - / -
0
258
MRGRG_HUMAN
11
43%
0.133
PF00001
41 -
(0)
?
- / - / -
0
259
MRGX1_HUMAN
12
35%
0.214
PF00001
36 -
(0)
?
- / - / -
0
260
MRGX2_HUMAN
13
38%
0.182
PF00001
33 -
(0)
?
- / - / -
0
261
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
262
MRGX4_HUMAN
13
37%
0.167
PF00001
54 -
(0)
?
- / - / -
0
263
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
264
MTLR_HUMAN
20
42%
0.355
PF00001
133 -
(0)
?
- / - / -
0
265
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
266
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
267
MTR1L_HUMAN
20
34%
0.283
PF00001
88 -
(0)
?
- / - / -
0
268
NK1R_HUMAN
20
100%
0.245
PF00001
52 -
(0)
?
- / - / -
0
269
NK2R_HUMAN
20
58%
0.306
PF00001
39 -
(0)
?
- / - / -
0
270
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
271
NMBR_HUMAN
20
37%
0.278
PF00001
63 -
(0)
?
- / - / -
0
272
NMUR1_HUMAN
20
39%
0.318
PF00001
60 -
(0)
3
- / - / -
0
273
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
274
NPBW1_HUMAN
20
39%
0.400
PF00001
71 -
(0)
?
- / - / -
0
275
NPBW2_HUMAN
20
42%
0.290
PF00001
78 -
(0)
?
- / - / -
0
276
NPFF1_HUMAN
20
36%
0.321
PF00001
62 -
(0)
?
- / - / -
0
277
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
278
NPSR1_HUMAN
20
33%
0.150
PF00001
77 -
(0)
?
- / - / -
0
279
NPY1R_HUMAN
19
31%
0.207
PF10413
41 -
(0)
2
- / - / -
0
280
NPY2R_HUMAN
20
38%
0.347
PF00001
82 -
(0)
1
- / - / -
0
281
NPY4R_HUMAN
20
33%
0.260
PF00001
58 -
(0)
?
- / - / -
0
282
NPY5R_HUMAN
9
23%
0.202
PF00001
19 -
(0)
?
- / - / -
0
283
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
284
NTR1_HUMAN
20
90%
0.476
PF00001
75 -
(0)
2
- / - / -
0
285
NTR2_HUMAN
11
39%
0.430
PF00001
86 -
(0)
?
- / - / -
0
286
O10A2_HUMAN
6
32%
0.319
PF00001
44 -
(0)
?
- / - / -
0
287
O10A3_HUMAN
6
27%
0.271
PF00001
34 -
(0)
?
- / - / -
0
288
O10A4_HUMAN
6
27%
0.321
PF00001
70 -
(0)
?
- / - / -
0
289
O10A5_HUMAN
3
38%
0.313
PF00001
36 -
(0)
?
- / - / -
0
290
O10A6_HUMAN
5
27%
0.340
PF00001
39 -
(0)
?
- / - / -
0
291
O10A7_HUMAN
7
28%
0.288
PF00001
32 -
(0)
?
- / - / -
0
292
O10AC_HUMAN
10
31%
0.322
PF00001
16 -
(0)
?
- / - / -
0
293
O10AD_HUMAN
8
41%
0.195
PF00001
45 -
(0)
?
- / - / -
0
294
O10AG_HUMAN
4
46%
?
PF10413
30 -
(0)
?
- / - / -
0
295
O10C1_HUMAN
4
34%
0.343
PF00001
36 -
(0)
?
- / - / -
0
296
O10D3_HUMAN
12
36%
0.292
PF00001
34 -
(0)
?
- / - / -
0
297
O10D4_HUMAN
12
33%
0.262
PF00001
53 -
(0)
?
- / - / -
0
298
O10G2_HUMAN
11
39%
0.303
PF00001
53 -
(0)
?
- / - / -
0
299
O10G3_HUMAN
6
36%
0.303
PF00001
50 -
(0)
?
- / - / -
0
300
O10G4_HUMAN
7
37%
0.238
PF00001
37 -
(0)
?
- / - / -
0
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