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
OPN4_HUMAN
20
42%
0.404
PF10413
81 -
(0)
?
- / - / -
0
51
AA2BR_HUMAN
33
63%
0.403
PF00001
C2_S1
261 -
(0)
6
- / - /
3
0
52
AGRB3_HUMAN
9
64%
0.402
PF00090
13 -
(0)
?
- / - / -
0
53
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
54
NPBW1_HUMAN
20
39%
0.400
PF00001
71 -
(0)
?
- / - / -
0
55
SSR3_HUMAN
20
43%
0.398
PF00001
43 -
(0)
?
- / - / -
0
56
S1PR5_HUMAN
10
51%
0.395
PF00001
C4_S1
36 -
(0)
?
- / - /
1
0
57
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
58
CELR3_HUMAN
10
34%
0.394
PF08758
0 -
(0)
?
- / - / -
0
59
ADRB2_HUMAN
37
90%
0.393
PF00001
C3_S1
220 -
(0)
7
- /
8
/
17
0
60
O52N5_HUMAN
12
34%
0.393
PF00001
35 -
(0)
?
- / - / -
0
61
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
62
O52K1_HUMAN
9
33%
0.390
PF00001
53 -
(0)
?
- / - / -
0
63
GPC6A_HUMAN
20
37%
0.389
PF07562
26 -
(0)
?
- / - / -
0
64
LGR6_HUMAN
19
62%
0.388
PF01462
29 -
(0)
?
- / - / -
0
65
AGRD1_HUMAN
11
32%
0.387
PF07952
4 -
(0)
?
- / - / -
0
66
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
67
AGRA3_HUMAN
16
46%
0.387
PF01462
21 -
(0)
?
- / - / -
0
68
PE2R2_HUMAN
13
29%
0.386
PF00001
85 -
(0)
?
- / - / -
0
69
GPR25_HUMAN
20
34%
0.384
PF00001
55 -
(0)
?
- / - / -
0
70
SSR1_HUMAN
20
47%
0.384
PF00001
C5_S1
75 -
(0)
1
- / - /
1
0
71
AA1R_HUMAN
28
53%
0.383
PF00001
C5_S1
223 -
(0)
6
- / - /
7
0
72
OR8K3_HUMAN
12
33%
0.382
PF00001
65 -
(0)
?
- / - / -
0
73
UR2R_HUMAN
19
34%
0.380
PF00001
64 -
(0)
?
- / - / -
0
74
AGRF3_HUMAN
5
27%
0.380
PF07654
11 -
(0)
?
- / - / -
0
75
O52K2_HUMAN
10
35%
0.377
PF00001
42 -
(0)
?
- / - / -
0
76
TA2R_HUMAN
8
34%
0.375
PF00001
107 -
(0)
?
- / - / -
0
77
GPR98_HUMAN
11
38%
0.373
PF01699
0 -
(0)
?
- / - / -
0
78
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
79
OR9K2_HUMAN
13
36%
0.371
PF00001
39 -
(0)
?
- / - / -
0
80
OPSR_HUMAN
21
42%
0.370
PF10413
C10_S1
24 -
(0)
5
- / - /
3
0
81
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
82
OR2M4_HUMAN
4
57%
0.370
PF10413
C1_S1
41 -
(0)
?
- / - /
1
0
83
OR5B3_HUMAN
9
42%
0.369
PF00001
33 -
(0)
?
- / - / -
0
84
CCR10_HUMAN
20
38%
0.369
PF00001
65 -
(0)
?
- / - / -
0
85
ADA2B_HUMAN
20
53%
0.368
PF00001
114 -
(0)
?
- / - / -
0
86
OR2A7_HUMAN
9
38%
0.368
PF00001
49 -
(0)
?
- / - / -
0
87
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
88
CD97_HUMAN
18
85%
0.367
PF00084
1 -
(0)
?
- / - / -
0
89
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
90
CELR2_HUMAN
10
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
91
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
92
FFAR1_HUMAN
13
98%
0.366
PF10413
80 -
(0)
?
- / - / -
0
93
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
94
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
95
OR8H2_HUMAN
7
33%
0.364
PF00001
44 -
(0)
?
- / - / -
0
96
O51B5_HUMAN
9
30%
0.363
PF00001
36 -
(0)
?
- / - / -
0
97
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
98
O52B2_HUMAN
11
33%
0.362
PF00001
38 -
(0)
?
- / - / -
0
99
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
100
OPRK_HUMAN
20
98%
0.361
PF00001
C2_S1
57 -
(0)
4
- /
3
/
5
2
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