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]
50
GP173_HUMAN
7
32%
0.229
PF00001
102 -
(0)
?
- / - / -
0
51
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
52
OR9A4_HUMAN
12
34%
0.283
PF00001
101 -
(0)
?
- / - / -
0
53
O51A7_HUMAN
6
30%
0.263
PF00001
100 -
(0)
?
- / - / -
0
54
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
55
ADA2C_HUMAN
20
42%
0.239
PF00001
97 -
(0)
?
- / - / -
0
56
O2T10_HUMAN
3
33%
0.254
PF00001
94 -
(0)
?
- / - / -
0
57
OX2R_HUMAN
20
100%
0.299
PF00001
93 -
(0)
?
- / - / -
0
58
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
59
OR5A1_HUMAN
11
40%
0.271
PF00001
92 -
(0)
?
- / - / -
0
60
GALR2_HUMAN
20
43%
0.320
PF00001
92 -
(0)
?
- / - / -
0
61
O56A1_HUMAN
2
50%
0.256
PF00001
92 -
(0)
?
- / - / -
0
62
OR2F1_HUMAN
2
37%
0.244
PF00001
89 -
(0)
?
- / - / -
0
63
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
64
GPR85_HUMAN
10
38%
0.235
PF00001
88 -
(0)
?
- / - / -
0
65
OR2F2_HUMAN
7
33%
0.250
PF00001
88 -
(0)
?
- / - / -
0
66
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
67
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
68
MTR1L_HUMAN
20
34%
0.283
PF00001
88 -
(0)
?
- / - / -
0
69
MCHR2_HUMAN
20
41%
0.257
PF00001
87 -
(0)
?
- / - / -
0
70
NTR2_HUMAN
11
39%
0.430
PF00001
86 -
(0)
?
- / - / -
0
71
P2RY8_HUMAN
19
33%
0.242
PF00001
86 -
(0)
1
- / - / -
0
72
MTR1B_HUMAN
20
36%
0.219
PF00001
85 -
(0)
?
- / - / -
0
73
GPR61_HUMAN
19
26%
0.289
PF00001
85 -
(0)
?
- / - / -
0
74
PE2R2_HUMAN
13
29%
0.386
PF00001
85 -
(0)
?
- / - / -
0
75
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
76
OR1L4_HUMAN
5
34%
0.222
PF00001
84 -
(0)
?
- / - / -
0
77
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
78
CNR1_HUMAN
20
95%
0.245
PF00001
84 -
(0)
?
- / - / -
0
79
O2T11_HUMAN
3
38%
0.356
PF00001
83 -
(0)
?
- / - / -
0
80
ACM3_HUMAN
20
98%
0.237
PF00001
83 -
(0)
?
- / - / -
0
81
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
82
NPY2R_HUMAN
20
38%
0.347
PF00001
82 -
(0)
1
- / - / -
0
83
ACTHR_HUMAN
20
46%
0.345
PF00001
82 -
(0)
2
- / - / -
0
84
OR1B1_HUMAN
7
35%
0.334
PF00001
82 -
(0)
?
- / - / -
0
85
OR1L3_HUMAN
3
46%
0.303
PF00001
81 -
(0)
?
- / - / -
0
86
O51Q1_HUMAN
5
28%
0.165
PF00001
81 -
(0)
?
- / - / -
0
87
OPN4_HUMAN
20
42%
0.404
PF10413
81 -
(0)
?
- / - / -
0
88
GPR19_HUMAN
20
35%
0.226
PF00001
81 -
(0)
?
- / - / -
0
89
OR2S1_HUMAN
3
44%
0.216
PF00001
81 -
(0)
?
- / - / -
0
90
O52B6_HUMAN
4
34%
0.278
PF00001
81 -
(0)
?
- / - / -
0
91
GPR78_HUMAN
10
31%
0.280
PF00001
81 -
(0)
?
- / - / -
0
92
OPN3_HUMAN
20
32%
0.282
PF10413
80 -
(0)
1
- / - / -
0
93
GPR27_HUMAN
7
32%
0.210
PF10413
80 -
(0)
?
- / - / -
0
94
FFAR1_HUMAN
13
98%
0.366
PF10413
80 -
(0)
?
- / - / -
0
95
AGTR1_HUMAN
20
37%
0.303
PF00001
79 -
(0)
?
- / - / -
0
96
GPR6_HUMAN
14
43%
0.278
PF00001
79 -
(0)
?
- / - / -
0
97
OR1L8_HUMAN
2
38%
0.268
PF00001
78 -
(0)
?
- / - / -
0
98
NPBW2_HUMAN
20
42%
0.290
PF00001
78 -
(0)
?
- / - / -
0
99
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
100
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
/ 17
>>
- Show
50
100
250
500
All