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]
1
AGRG4_HUMAN
8
24%
0.331
-
4 -
(0)
?
- / - / -
0
2
FFAR2_HUMAN
11
33%
0.268
PF00001
42 -
(0)
?
- / - / -
0
3
OR2T1_HUMAN
13
63%
0.307
PF00001
35 -
(0)
?
- / - / -
0
4
O13C6_HUMAN
8
29%
0.209
PF00001
22 -
(0)
?
- / - / -
0
5
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
6
GPR18_HUMAN
18
29%
0.288
PF00001
56 -
(0)
?
- / - / -
0
7
MRGRD_HUMAN
14
40%
0.212
PF00001
36 -
(0)
?
- / - / -
0
8
MRGRF_HUMAN
13
52%
0.119
PF00001
33 -
(0)
?
- / - / -
0
9
OR4CG_HUMAN
6
52%
0.302
PF00001
35 -
(0)
?
- / - / -
0
10
PAR3_HUMAN
20
45%
0.234
PF00001
55 -
(0)
?
- / - / -
0
11
OR4M1_HUMAN
9
31%
0.276
PF00001
34 -
(0)
?
- / - / -
0
12
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
13
GPR20_HUMAN
18
32%
0.221
PF00001
48 -
(0)
?
- / - / -
0
14
P2RY8_HUMAN
19
33%
0.242
PF00001
86 -
(0)
1
- / - / -
0
15
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
16
ACKR1_HUMAN
9
37%
0.170
PF00001
14 -
(0)
?
- / - / -
0
17
GPR37_HUMAN
11
30%
0.194
PF00001
32 -
(0)
?
- / - / -
0
18
OR8K1_HUMAN
13
31%
0.300
PF00001
33 -
(0)
?
- / - / -
0
19
OR2L5_HUMAN
12
36%
0.099
PF00001
32 -
(0)
?
- / - / -
0
20
P2Y14_HUMAN
15
46%
0.262
PF00001
60 -
(0)
?
- / - / -
0
21
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
22
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
23
O10D3_HUMAN
12
36%
0.292
PF00001
34 -
(0)
?
- / - / -
0
24
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
25
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
26
OR2A1_HUMAN
10
44%
0.322
PF00001
42 -
(0)
?
- / - / -
0
27
OR2A4_HUMAN
7
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
28
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
29
RL3R1_HUMAN
19
36%
0.243
PF00001
58 -
(0)
?
- / - / -
0
30
PAR2_HUMAN
18
36%
0.249
PF00001
59 -
(0)
?
- / - / -
0
31
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
32
MRGRG_HUMAN
11
43%
0.133
PF00001
41 -
(0)
?
- / - / -
0
33
O10A3_HUMAN
6
27%
0.271
PF00001
34 -
(0)
?
- / - / -
0
34
O51F1_HUMAN
13
32%
0.255
PF00001
51 -
(0)
?
- / - / -
0
35
OR5J2_HUMAN
11
26%
0.319
PF00001
24 -
(0)
?
- / - / -
0
36
O10A7_HUMAN
7
28%
0.288
PF00001
32 -
(0)
?
- / - / -
0
37
O4C45_HUMAN
11
40%
0.289
PF00001
24 -
(0)
?
- / - / -
0
38
OR5DG_HUMAN
13
50%
0.310
PF00001
40 -
(0)
?
- / - / -
0
39
O5AP2_HUMAN
5
40%
0.301
PF00001
35 -
(0)
?
- / - / -
0
40
OR5T1_HUMAN
12
46%
0.261
PF00001
30 -
(0)
?
- / - / -
0
41
OR9G1_HUMAN
4
38%
0.199
PF00001
47 -
(0)
?
- / - / -
0
42
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
43
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
44
O13F1_HUMAN
9
36%
0.332
PF00001
29 -
(0)
?
- / - / -
0
45
O5AC1_HUMAN
12
34%
0.342
PF00001
29 -
(0)
?
- / - / -
0
46
OR4CC_HUMAN
12
46%
0.260
PF00001
30 -
(0)
?
- / - / -
0
47
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
48
GPR33_HUMAN
15
43%
0.329
PF00001
52 -
(0)
?
- / - / -
0
49
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
50
OR2M5_HUMAN
2
47%
0.271
PF00001
28 -
(0)
?
- / - / -
0
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