Screening Results : Docking based on all models from entry : PF00105_RARA_HUMAN
Display Selection :
Study :
All_Studies
BDB_LIG
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
Resume
Details
Color code: [
Good
|
Correct
|
Uncertain
|
Dubius
] - pKd: [
‹nMol
|
‹μMol
|
‹mMol
| ›mMol]
pKd
LE
LPE < 1.5
LPE < 2.5
All LPE
LPE Spec
ALL_Candidates
31882
31883
31884
31885
31886
31891
31892
50029774
50032219
50032671
50032675
50033079
50045268
50048276
50048277
50048278
50048279
50048280
50048281
50048284
50048285
50048290
50048291
50048292
50048293
50048295
50048296
50048297
50048298
50051551
50051552
50051553
50051554
50051555
50051556
50052033
50052412
50052413
50052414
50052588
50052589
50052590
50055112
50055113
50055114
50061615
50061616
50061617
50061618
50061619
50061621
50061625
50075342
50075343
50075344
50075345
50075346
50075347
50075348
50075349
50075350
50075351
50075352
50075353
50075354
50075355
50075876
50075877
50075878
50075879
50075880
50075881
50083046
50083047
50083048
50083049
50097819
50097820
50097821
50097822
50097823
50097824
50101444
50101446
50120063
50120064
50120065
50120066
50122351
50129720
50132580
50135450
50135453
50135454
50135456
50135457
50135458
50135459
50135460
50135463
50141592
50141593
50141595
50141596
50141604
50141605
50143824
50290078
50290079
50290081
50290082
50290083
50290137
50290177
50290178
50290179
50290184
50290185
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
7.8
1.4
50083049
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(8 Cplx.)
BDB
pKd= -4.6
2
10.9
0.5
31884
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(14 Cplx.)
BDB
pKd= -4.8
3
7.4
0.7
50051555
1EXA
(82%)
+
394_A_2
QMean=0.531
P1
:
(9 Cplx.)
BDB
pKd= -5.0
4
7.3
2.2
50083046
1FCX
(83%)
+
184_A_2
QMean=0.538
P1
:
(8 Cplx.)
BDB
pKd= -5.0
5
7.3
1.9
50141595
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(10 Cplx.)
BDB
pKi= -5.1
6
8.3
1.4
50141605
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(8 Cplx.)
BDB
pKi= -5.1
7
9.0
1.1
50048298
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(11 Cplx.)
BDB
pKi= -5.1
8
10.6
0.3
31882
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(14 Cplx.)
BDB
pKd= -5.1
9
6.7
2.4
50141596
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(10 Cplx.)
BDB
pKi= -5.1
10
5.5
2.3
50132580
4DQM
(100%)
+
LUF_C_6
QMean=0.528
P2
:
(4 Cplx.)
BDB
pKi= -5.1
11
10.7
0.5
31885
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(14 Cplx.)
BDB
pKd= -5.1
12
9.5
0.7
50048291
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(9 Cplx.)
BDB
pKi= -5.2
13
9.6
0.7
50048279
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(8 Cplx.)
BDB
pKi= -5.2
14
7.9
1.6
50141604
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(9 Cplx.)
BDB
pKi= -5.2
15
5.8
2.3
50135457
1FCZ
(83%)
+
156_A_2
QMean=0.537
P1
:
(4 Cplx.)
BDB
pKi= -5.2
16
10.6
0.3
50051556
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(14 Cplx.)
BDB
pKd= -5.2
17
8.7
1.0
50083047
1EXA
(82%)
+
394_A_2
QMean=0.531
P1
:
(14 Cplx.)
BDB
pKd= -5.2
18
8.1
1.2
50141593
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(8 Cplx.)
BDB
pKi= -5.2
19
8.2
1.1
50101446
3A9E
(100%)
+
REA_B_5
QMean=0.528
P1
:
(14 Cplx.)
BDB
pKd= -5.2
20
9.7
1.1
50290079
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(12 Cplx.)
BDB
pKi= -5.2
21
5.4
2.3
50135450
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(4 Cplx.)
BDB
pKi= -5.2
22
5.5
1.9
50135463
1EXA
(82%)
+
394_A_2
QMean=0.531
P3
:
(3 Cplx.)
BDB
pKi= -5.3
23
9.4
1.1
50048297
1EXA
(82%)
+
394_A_2
QMean=0.531
P2
:
(5 Cplx.)
BDB
pKi= -5.3
24
8.8
0.9
50290177
3KMR
(100%)
+
EQN_A_3
QMean=0.541
P1
:
(15 Cplx.)
BDB
pKd= -5.3
25
5.6
2.1
50135453
3A9E
(100%)
+
REA_B_5
QMean=0.528
P2
:
(3 Cplx.)
BDB
pKi= -5.3
26
6.2
1.8
50135459
1EXX
(82%)
+
961_A_2
QMean=0.549
P3
:
(3 Cplx.)
BDB
pKi= -5.4
27
9.5
0.4
50101444
1FCX
(83%)
+
184_A_2
QMean=0.538
P1
:
(6 Cplx.)
BDB
pKd= -5.4
28
6.0
2.3
50135456
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(3 Cplx.)
BDB
pKi= -5.6
29
5.7
1.7
50052590
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(5 Cplx.)
BDB
pKi= -5.6
30
6.7
2.3
50135454
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(4 Cplx.)
BDB
pKi= -5.6
31
6.0
2.2
50061621
1EXA
(82%)
+
394_A_2
QMean=0.531
P1
:
(8 Cplx.)
BDB
pKi= -5.7
32
6.9
2.2
50141592
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P2
:
(5 Cplx.)
BDB
pKi= -5.7
33
7.8
0.8
50032671
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(11 Cplx.)
BDB
pKi= -5.7
34
7.6
1.8
50052589
3A9E
(100%)
+
REA_B_5
QMean=0.528
P1
:
(10 Cplx.)
BDB
pKi= -5.7
35
10.9
0.1
50051551
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(14 Cplx.)
BDB
pKd= -5.7
36
6.3
2.2
50061619
3A9E
(100%)
+
REA_B_5
QMean=0.528
P1
:
(8 Cplx.)
BDB
pKi= -5.8
37
9.4
1.4
50290083
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(8 Cplx.)
BDB
pKi= -5.8
38
7.7
2.1
50061615
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(14 Cplx.)
BDB
pKi= -5.9
39
7.2
1.4
50061616
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(13 Cplx.)
BDB
pKi= -5.9
40
8.8
0.9
50048276
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(8 Cplx.)
BDB
pKi= -5.9
41
5.9
1.9
50061618
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(5 Cplx.)
BDB
pKi= -6.0
42
9.3
1.0
50083048
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(8 Cplx.)
BDB
pKd= -6.0
43
10.5
0.4
50048292
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(11 Cplx.)
BDB
pKi= -6.0
44
6.2
2.0
50061617
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(7 Cplx.)
BDB
pKi= -6.0
45
8.8
1.0
50048293
1EXA
(82%)
+
394_A_2
QMean=0.531
P1
:
(14 Cplx.)
BDB
pKi= -6.0
46
11.7
0.6
50075347
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(15 Cplx.)
BDB
pKd= -6.0
47
8.4
0.6
50033079
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(13 Cplx.)
BDB
pKi= -6.0
48
11.3
0.3
50075348
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(15 Cplx.)
BDB
pKd= -6.0
49
7.5
0.7
50032675
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(10 Cplx.)
BDB
pKi= -6.0
50
9.7
0.5
50048280
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(8 Cplx.)
BDB
pKi= -6.0
51
9.2
1.0
50290078
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(11 Cplx.)
BDB
pKi= -6.1
52
8.1
1.3
50048290
3KMR
(100%)
+
EQN_A_3
QMean=0.541
P1
:
(15 Cplx.)
BDB
pKi= -6.1
53
9.7
0.7
50290082
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(10 Cplx.)
BDB
pKi= -6.1
54
9.7
0.8
50290185
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(10 Cplx.)
BDB
pKd= -6.2
55
9.6
1.1
50048278
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(11 Cplx.)
BDB
pKi= -6.2
56
9.9
0.5
50048281
3KMR
(100%)
+
EQN_A_3
QMean=0.541
P2
:
(4 Cplx.)
BDB
pKi= -6.2
57
10.7
0.3
50051552
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(12 Cplx.)
BDB
pKd= -6.2
58
10.0
1.4
50048284
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P2
:
(5 Cplx.)
BDB
pKi= -6.2
59
9.7
0.5
50122351
3KMR
(100%)
+
EQN_A_3
QMean=0.541
P3
:
(3 Cplx.)
BDB
pKd= -6.2
60
9.5
0.8
50290081
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(11 Cplx.)
BDB
pKi= -6.3
61
9.3
0.6
50048277
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(10 Cplx.)
BDB
pKi= -6.3
62
9.3
0.9
50048285
1EXA
(82%)
+
394_A_2
QMean=0.531
P1
:
(14 Cplx.)
BDB
pKi= -6.4
63
6.1
1.2
50052588
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(7 Cplx.)
BDB
pKi= -6.5
64
10.8
0.2
50055113
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(14 Cplx.)
BDB
pKd= -6.5
65
8.8
0.6
50097822
1DKF
(100%)
+
BMS_C_3
QMean=0.576
P2
:
(4 Cplx.)
BDB
pKd= -6.5
66
10.5
0.9
50075350
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(15 Cplx.)
BDB
pKd= -6.6
67
11.5
0.6
50075354
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(15 Cplx.)
BDB
pKd= -6.6
68
10.3
1.1
50075355
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(13 Cplx.)
BDB
pKd= -6.7
69
8.7
0.5
50097823
1DKF
(100%)
+
BMS_C_3
QMean=0.576
P1
:
(13 Cplx.)
BDB
pKd= -6.8
70
10.7
0.6
50075345
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(15 Cplx.)
BDB
pKd= -6.8
71
9.1
0.5
50097821
1DKF
(100%)
+
BMS_C_3
QMean=0.576
P2
:
(5 Cplx.)
BDB
pKd= -6.9
72
10.3
0.6
50055114
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(15 Cplx.)
BDB
pKd= -6.9
73
10.7
0.1
31886
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(12 Cplx.)
BDB
pKd= -6.9
74
8.7
1.1
50048295
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(15 Cplx.)
BDB
pKi= -6.9
75
10.0
1.2
50290179
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(10 Cplx.)
BDB
pKd= -6.9
76
9.8
0.5
50097820
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(15 Cplx.)
BDB
pKd= -6.9
77
8.7
1.1
50097824
1EXA
(82%)
+
394_A_2
QMean=0.531
P1
:
(14 Cplx.)
BDB
pKd= -6.9
78
10.5
1.2
50075343
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(9 Cplx.)
BDB
pKd= -7.0
79
11.0
0.6
50075351
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(10 Cplx.)
BDB
pKd= -7.0
80
9.7
0.5
50055112
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(11 Cplx.)
BDB
pKd= -7.0
81
8.2
0.8
50143824
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P2
:
(5 Cplx.)
BDB
pKi= -7.0
82
8.3
1.7
50045268
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(14 Cplx.)
BDB
pKd= -7.1
83
10.9
0.8
50075342
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(15 Cplx.)
BDB
pKd= -7.1
84
11.2
0.3
50051554
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(15 Cplx.)
BDB
pKd= -7.1
85
10.5
0.6
50075346
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(13 Cplx.)
BDB
pKd= -7.2
86
9.8
0.9
50290178
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(12 Cplx.)
BDB
pKd= -7.2
87
10.7
0.9
50075352
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(15 Cplx.)
BDB
pKd= -7.2
88
11.0
0.0
50051553
1FD0
(83%)
+
254_A_2
QMean=0.538
P1
:
(14 Cplx.)
BDB
pKd= -7.2
89
7.4
1.6
31892
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(14 Cplx.)
BDB
pKd= -7.3
90
5.8
2.1
50129720
3A9E
(100%)
+
REA_B_5
QMean=0.528
P1
:
(6 Cplx.)
BDB
pKi= -7.3
91
10.3
0.7
50290184
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(15 Cplx.)
BDB
pKd= -7.3
92
10.9
0.9
50075344
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(13 Cplx.)
BDB
pKd= -7.4
93
10.9
0.7
50075349
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(15 Cplx.)
BDB
pKd= -7.4
94
10.5
0.9
50075353
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(15 Cplx.)
BDB
pKd= -7.4
95
10.1
0.6
50052414
3KMR
(100%)
+
EQN_A_3
QMean=0.541
P3
:
(4 Cplx.)
BDB
pKd= -7.4
96
10.5
0.0
50097819
1FCY
(84%)
+
564_A_2
QMean=0.534
P1
:
(14 Cplx.)
BDB
pKd= -7.4
97
9.3
0.9
50032219
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(10 Cplx.)
BDB
pKd= -7.6
98
9.0
1.1
50075876
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(15 Cplx.)
BDB
pKd= -7.8
99
9.8
1.5
50075877
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(15 Cplx.)
BDB
pKd= -7.8
100
10.4
1.2
50075880
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(14 Cplx.)
BDB
pKd= -7.9
101
9.1
0.9
50075878
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(12 Cplx.)
BDB
pKd= -7.9
102
8.1
1.1
31891
1FCX
(83%)
+
184_A_2
QMean=0.538
P1
:
(9 Cplx.)
BDB
pKd= -7.9
103
8.6
1.3
50075881
3KMZ
(100%)
+
EQO_A_10
QMean=0.499
P1
:
(8 Cplx.)
BDB
pKd= -7.9
104
10.8
0.6
50029774
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(15 Cplx.)
BDB
pKd= -8.1
105
9.9
1.2
50052033
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P1
:
(15 Cplx.)
BDB
pKi= -8.1
106
9.9
1.2
50061625
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(10 Cplx.)
BDB
pKi= -8.2
107
9.9
0.9
50120064
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P2
:
(5 Cplx.)
BDB
pKd= -8.2
108
10.2
1.6
50052412
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P1
:
(8 Cplx.)
BDB
pKd= -8.2
109
8.0
0.8
31883
3KMR
(100%)
+
EQN_A_3
QMean=0.541
P3
:
(4 Cplx.)
BDB
pKi= -8.3
110
6.8
1.2
50075879
4JYI
(85%)
+
JYI_A_5
QMean=0.495
P2
:
(4 Cplx.)
BDB
pKd= -8.3
111
9.8
1.1
50048296
1FCX
(83%)
+
184_A_2
QMean=0.538
P1
:
(15 Cplx.)
BDB
pKi= -8.3
112
10.7
1.4
50052413
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(7 Cplx.)
BDB
pKd= -8.4
113
9.9
1.1
50120063
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(11 Cplx.)
BDB
pKd= -8.5
114
8.5
0.7
50290137
4DM6
(86%)
+
TTB_A_5
QMean=0.486
P1
:
(5 Cplx.)
BDB
pKi= -8.5
115
10.3
1.5
50120065
4JYH
(85%)
+
JYH_B_6
QMean=0.511
P2
:
(7 Cplx.)
BDB
pKd= -8.5
116
10.4
0.7
50120066
4JYG
(85%)
+
1NY_B_7
QMean=0.508
P1
:
(11 Cplx.)
BDB
pKd= -8.7
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.38
Action on selected entries :
Select Module :
-----------------------------------------------
Download values (CSV)
Download 3D files (Mol2 & PDB)
Superimpose Selected Complexes
-----------------------------------------------