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
GPR88_HUMAN
9
41%
0.246
PF00001
67 -
(0)
?
- / - / -
0
251
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
252
O11H1_HUMAN
6
41%
0.298
PF00001
45 -
(0)
?
- / - / -
0
253
O10AD_HUMAN
8
41%
0.195
PF00001
45 -
(0)
?
- / - / -
0
254
S1PR4_HUMAN
19
41%
0.321
PF00001
C5_S1
32 -
(0)
?
- / - /
1
0
255
OR4K3_HUMAN
6
41%
0.230
PF10413
41 -
(0)
?
- / - / -
0
256
O52E6_HUMAN
6
41%
0.182
PF00001
57 -
(0)
?
- / - / -
0
257
5HT1A_HUMAN
20
41%
0.285
PF00001
C4_S1
145 -
(0)
2
- / - /
2
0
258
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
259
GP124_HUMAN
18
41%
0.268
PF01582
30 -
(0)
?
- / - / -
0
260
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
261
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
262
DRD1_HUMAN
33
41%
0.354
PF00001
C6_S1
214 -
(0)
10
- / - /
21
0
263
OR9A1_HUMAN
11
41%
0.163
PF00001
54 -
(0)
?
- / - / -
0
264
O52E8_HUMAN
2
41%
0.267
PF00001
74 -
(0)
?
- / - / -
0
265
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
266
GPR1_HUMAN
20
41%
0.283
PF00001
C4_S1
58 -
(0)
2
- / - /
2
0
267
MCHR2_HUMAN
20
41%
0.257
PF00001
87 -
(0)
?
- / - / -
0
268
GPR87_HUMAN
20
40%
0.263
PF12109
42 -
(0)
?
- / - / -
0
269
OR5I1_HUMAN
12
40%
0.241
PF00001
38 -
(0)
?
- / - / -
0
270
OR5A1_HUMAN
11
40%
0.271
PF00001
92 -
(0)
?
- / - / -
0
271
TAAR5_HUMAN
20
40%
0.314
PF00001
189 -
(0)
1
- / - / -
0
272
O10S1_HUMAN
13
40%
0.251
PF00001
52 -
(0)
?
- / - / -
0
273
OR4P4_HUMAN
13
40%
0.212
PF00001
54 -
(0)
?
- / - / -
0
274
OR7D4_HUMAN
12
40%
0.268
PF00001
46 -
(0)
?
- / - / -
0
275
MRGRE_HUMAN
11
40%
0.242
PF00001
39 -
(0)
?
- / - / -
0
276
OR2B3_HUMAN
5
40%
0.226
PF10413
30 -
(0)
?
- / - / -
0
277
TRFR_HUMAN
20
40%
0.309
PF00001
C2_S1
149 -
(0)
5
- / - /
2
0
278
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
279
OR2C1_HUMAN
3
40%
0.327
PF10413
69 -
(0)
?
- / - / -
0
280
OR5F1_HUMAN
11
40%
0.355
PF00001
44 -
(0)
?
- / - / -
0
281
OR2B2_HUMAN
9
40%
0.299
PF10413
35 -
(0)
?
- / - / -
0
282
OR5BH_HUMAN
6
40%
0.329
PF00001
27 -
(0)
?
- / - / -
0
283
5HT4R_HUMAN
24
40%
0.325
PF00001
C4_S1
263 -
(0)
4
- / - /
4
0
284
OR4KF_HUMAN
8
40%
0.306
PF00001
44 -
(0)
?
- / - / -
0
285
OR4Q2_HUMAN
10
40%
0.278
PF00001
33 -
(0)
?
- / - / -
0
286
OR4D5_HUMAN
6
40%
0.321
PF00001
48 -
(0)
?
- / - / -
0
287
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
288
GNRHR_HUMAN
4
40%
0.251
PF00001
68 -
(0)
?
- / - / -
0
289
GP149_HUMAN
11
40%
0.296
PF02162
22 -
(0)
?
- / - / -
0
290
O4F15_HUMAN
14
40%
0.269
PF10413
30 -
(0)
?
- / - / -
0
291
OR5V1_HUMAN
13
40%
0.292
PF00001
28 -
(0)
?
- / - / -
0
292
DRD5_HUMAN
34
40%
0.330
PF00001
C5_S1
196 -
(0)
10
- / - /
24
0
293
GALR1_HUMAN
20
40%
0.247
PF00001
117 -
(0)
2
- / - / -
0
294
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
295
MRGRD_HUMAN
14
40%
0.212
PF00001
36 -
(0)
?
- / - / -
0
296
OR5DI_HUMAN
13
40%
0.296
PF00001
29 -
(0)
?
- / - / -
0
297
O5AP2_HUMAN
5
40%
0.301
PF00001
35 -
(0)
?
- / - / -
0
298
O51J1_HUMAN
11
40%
0.171
PF00959
16 -
(0)
?
- / - / -
0
299
OR8A1_HUMAN
11
40%
0.345
PF00001
58 -
(0)
?
- / - / -
0
300
HRH3_HUMAN
20
40%
0.257
PF00001
C1_S1
59 -
(0)
2
- / - /
2
0
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