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
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
51
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
52
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
53
GALR1_HUMAN
20
40%
0.247
PF00001
117 -
(0)
2
- / - / -
0
54
CCR3_HUMAN
20
46%
0.356
PF00001
C3_S1
63 -
(0)
2
- / - /
1
0
55
CALRL_HUMAN
8
40%
0.258
PF00001
C2_S1
19 -
(0)
2
- / - /
1
0
56
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
57
ACTHR_HUMAN
20
46%
0.345
PF00001
82 -
(0)
2
- / - / -
0
58
PTH2R_HUMAN
8
42%
0.211
PF00001
C4_S1
13 -
(0)
2
- / - /
1
0
59
NTR1_HUMAN
20
90%
0.476
PF00001
75 -
(0)
2
- / - / -
0
60
HRH3_HUMAN
20
40%
0.257
PF00001
C1_S1
59 -
(0)
2
- / - /
2
0
61
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
62
NPY1R_HUMAN
19
31%
0.207
PF10413
41 -
(0)
2
- / - / -
0
63
CXCR1_HUMAN
20
100%
0.227
PF00001
69 -
(0)
2
- / - / -
0
64
GPR1_HUMAN
20
41%
0.283
PF00001
C4_S1
58 -
(0)
2
- / - /
2
0
65
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
66
5HT1A_HUMAN
20
41%
0.285
PF00001
C4_S1
145 -
(0)
2
- / - /
2
0
67
FZD1_HUMAN
19
55%
0.444
PF01392
C4_S1
12 -
(0)
2
- / - /
5
0
68
FZD2_HUMAN
18
57%
0.435
PF01392
C5_S1
14 -
(0)
2
- / - /
3
0
69
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
70
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
71
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
72
FZD10_HUMAN
17
52%
0.615
PF01392
C6_S1
15 -
(0)
2
- / - /
1
0
73
FZD4_HUMAN
16
100%
0.551
PF01392
12 -
(0)
2
- / - / -
0
74
SMO_HUMAN
16
100%
0.319
PF01392
C1_S1
13 -
(0)
2
1
/ - / -
0
75
GLR_HUMAN
10
99%
0.321
PF00001
C3_S1
16 -
(0)
2
- /
1
/
1
0
76
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
77
AA3R_HUMAN
20
43%
0.351
PF00001
C2_S1
71 -
(0)
1
- / - /
1
0
78
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
79
TAAR5_HUMAN
20
40%
0.314
PF00001
189 -
(0)
1
- / - / -
0
80
AGRL3_HUMAN
23
100%
0.534
PF02140
C2_S1
13 -
(0)
1
1
/ - /
3
0
81
ACKR4_HUMAN
20
36%
0.209
PF00001
72 -
(0)
1
- / - / -
0
82
AGRB2_HUMAN
8
55%
0.353
PF00090
9 -
(0)
1
- / - / -
0
83
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
84
PKR1_HUMAN
20
35%
0.257
PF00001
66 -
(0)
1
- / - / -
0
85
VIPR2_HUMAN
9
46%
0.350
PF00001
15 -
(0)
1
- / - / -
0
86
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
87
PTAFR_HUMAN
16
43%
0.190
PF00001
65 -
(0)
1
- / - / -
0
88
FPR3_HUMAN
17
33%
0.228
PF00001
C2_S1
52 -
(0)
1
- / - /
1
0
89
ACM2_HUMAN
19
97%
0.222
PF00001
C9_S1
106 -
(0)
1
- / - /
1
0
90
AGRL1_HUMAN
15
97%
0.609
PF02793
2 -
(0)
1
- / - / -
0
91
ACM5_HUMAN
20
78%
0.220
PF00001
C2_S1
47 -
(0)
1
- /
1
/ -
1
92
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
93
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
94
OPN3_HUMAN
20
32%
0.282
PF10413
80 -
(0)
1
- / - / -
0
95
P2RY8_HUMAN
19
33%
0.242
PF00001
86 -
(0)
1
- / - / -
0
96
PSYR_HUMAN
20
32%
0.265
PF00001
62 -
(0)
1
- / - / -
0
97
TAAR1_HUMAN
21
34%
0.274
PF00001
C5_S1
168 -
(0)
1
- / - /
1
0
98
GP182_HUMAN
19
37%
0.247
PF00001
55 -
(0)
1
- / - / -
0
99
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
100
CXCR2_HUMAN
20
87%
0.267
PF00001
71 -
(0)
1
- / - / -
0
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