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
OR2M5_HUMAN
2
47%
0.271
PF00001
28 -
(0)
?
- / - / -
0
51
HCAR1_HUMAN
19
31%
0.159
PF00001
66 -
(0)
?
- / - / -
0
52
GPER1_HUMAN
18
39%
0.261
PF00001
47 -
(0)
?
- / - / -
0
53
O10AD_HUMAN
8
41%
0.195
PF00001
45 -
(0)
?
- / - / -
0
54
O11H1_HUMAN
6
41%
0.298
PF00001
45 -
(0)
?
- / - / -
0
55
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
56
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
57
V1AR_HUMAN
19
35%
0.241
PF00001
45 -
(0)
?
- / - / -
0
58
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
59
P2Y13_HUMAN
15
48%
0.287
PF00001
34 -
(0)
?
- / - / -
0
60
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
61
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
62
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
63
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
64
O2AP1_HUMAN
3
43%
0.335
PF00001
41 -
(0)
?
- / - / -
0
65
SSR3_HUMAN
20
43%
0.398
PF00001
43 -
(0)
?
- / - / -
0
66
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
67
S1PR4_HUMAN
19
41%
0.321
PF00001
C5_S1
32 -
(0)
?
- / - /
1
0
68
O52L2_HUMAN
12
28%
0.256
PF00001
42 -
(0)
?
- / - / -
0
69
O52R1_HUMAN
11
28%
0.220
PF00001
50 -
(0)
?
- / - / -
0
70
O51F2_HUMAN
6
26%
0.199
PF00001
44 -
(0)
?
- / - / -
0
71
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
72
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
73
O52N1_HUMAN
11
26%
0.259
PF00001
40 -
(0)
?
- / - / -
0
74
OR4S2_HUMAN
12
27%
0.334
PF00001
29 -
(0)
?
- / - / -
0
75
OR1G1_HUMAN
7
30%
0.239
PF00001
35 -
(0)
?
- / - / -
0
76
OR1S1_HUMAN
8
50%
0.255
PF00001
32 -
(0)
?
- / - / -
0
77
OR5K4_HUMAN
11
59%
0.313
PF00001
34 -
(0)
?
- / - / -
0
78
OR9I1_HUMAN
13
55%
0.284
PF00001
32 -
(0)
?
- / - / -
0
79
O51S1_HUMAN
7
30%
0.362
PF00001
36 -
(0)
?
- / - / -
0
80
O52N5_HUMAN
12
34%
0.393
PF00001
35 -
(0)
?
- / - / -
0
81
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
82
OR4F5_HUMAN
4
36%
0.200
PF00001
37 -
(0)
?
- / - / -
0
83
OR8G5_HUMAN
11
31%
0.273
PF00001
36 -
(0)
?
- / - / -
0
84
O52E4_HUMAN
7
33%
0.271
PF00001
45 -
(0)
?
- / - / -
0
85
O52N4_HUMAN
8
33%
0.157
PF00001
32 -
(0)
?
- / - / -
0
86
OR5DI_HUMAN
13
40%
0.296
PF00001
29 -
(0)
?
- / - / -
0
87
P2Y12_HUMAN
19
100%
0.290
PF00001
67 -
(0)
?
- / - / -
0
88
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
89
O10H2_HUMAN
11
38%
0.302
PF00001
37 -
(0)
?
- / - / -
0
90
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
91
OR8G1_HUMAN
6
31%
0.292
PF00001
57 -
(0)
?
- / - / -
0
92
PTAFR_HUMAN
16
43%
0.190
PF00001
65 -
(0)
1
- / - / -
0
93
MRGX1_HUMAN
12
35%
0.214
PF00001
36 -
(0)
?
- / - / -
0
94
OR4D1_HUMAN
3
32%
0.302
PF00001
28 -
(0)
?
- / - / -
0
95
P2Y11_HUMAN
17
34%
0.305
PF00001
47 -
(0)
?
- / - / -
0
96
GNRR2_HUMAN
8
37%
0.217
PF00001
46 -
(0)
?
- / - / -
0
97
GPR25_HUMAN
20
34%
0.384
PF00001
55 -
(0)
?
- / - / -
0
98
CML1_HUMAN
19
34%
0.209
PF00001
49 -
(0)
?
- / - / -
0
99
PAR1_HUMAN
20
35%
0.203
PF00001
49 -
(0)
?
- / - / -
0
100
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
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