Screening Results : Docking based on all models from entry : PF00105_RARA_HUMAN




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Study : Show results: Values:




Color code: [ Good | Correct | Uncertain | Dubius ] - pKd: [ ‹nMol | ‹μMol | ‹mMol | ›mMol]

Complex support
[Template (Ident) + Anchor]
Model Quality (QMean)
Position of Lig. Study Measure
1 7.8 1.4500830494JYG (85%) + 1NY_B_7
QMean=0.508
P1: (8 Cplx.) BDB pKd= -4.6
2 10.9 0.5318841FCY (84%) + 564_A_2
QMean=0.534
P1: (14 Cplx.) BDB pKd= -4.8
3 7.4 0.7500515551EXA (82%) + 394_A_2
QMean=0.531
P1: (9 Cplx.) BDB pKd= -5.0
4 7.3 2.2500830461FCX (83%) + 184_A_2
QMean=0.538
P1: (8 Cplx.) BDB pKd= -5.0
5 7.3 1.9501415954JYI (85%) + JYI_A_5
QMean=0.495
P1: (10 Cplx.) BDB pKi= -5.1
6 8.3 1.4501416054DM6 (86%) + TTB_A_5
QMean=0.486
P1: (8 Cplx.) BDB pKi= -5.1
7 9.0 1.1500482984JYI (85%) + JYI_A_5
QMean=0.495
P1: (11 Cplx.) BDB pKi= -5.1
8 10.6 0.3318821FD0 (83%) + 254_A_2
QMean=0.538
P1: (14 Cplx.) BDB pKd= -5.1
9 6.7 2.4501415964JYI (85%) + JYI_A_5
QMean=0.495
P1: (10 Cplx.) BDB pKi= -5.1
10 5.5 2.3501325804DQM (100%) + LUF_C_6
QMean=0.528
P2: (4 Cplx.) BDB pKi= -5.1
11 10.7 0.5318851FCY (84%) + 564_A_2
QMean=0.534
P1: (14 Cplx.) BDB pKd= -5.1
12 9.5 0.7500482911FCY (84%) + 564_A_2
QMean=0.534
P1: (9 Cplx.) BDB pKi= -5.2
13 9.6 0.7500482791FD0 (83%) + 254_A_2
QMean=0.538
P1: (8 Cplx.) BDB pKi= -5.2
14 7.9 1.6501416044JYI (85%) + JYI_A_5
QMean=0.495
P1: (9 Cplx.) BDB pKi= -5.2
15 5.8 2.3501354571FCZ (83%) + 156_A_2
QMean=0.537
P1: (4 Cplx.) BDB pKi= -5.2
16 10.6 0.3500515561FD0 (83%) + 254_A_2
QMean=0.538
P1: (14 Cplx.) BDB pKd= -5.2
17 8.7 1.0500830471EXA (82%) + 394_A_2
QMean=0.531
P1: (14 Cplx.) BDB pKd= -5.2
18 8.1 1.2501415934DM6 (86%) + TTB_A_5
QMean=0.486
P1: (8 Cplx.) BDB pKi= -5.2
19 8.2 1.1501014463A9E (100%) + REA_B_5
QMean=0.528
P1: (14 Cplx.) BDB pKd= -5.2
20 9.7 1.1502900794JYI (85%) + JYI_A_5
QMean=0.495
P1: (12 Cplx.) BDB pKi= -5.2
21 5.4 2.3501354501FD0 (83%) + 254_A_2
QMean=0.538
P1: (4 Cplx.) BDB pKi= -5.2
22 5.5 1.9501354631EXA (82%) + 394_A_2
QMean=0.531
P3: (3 Cplx.) BDB pKi= -5.3
23 9.4 1.1500482971EXA (82%) + 394_A_2
QMean=0.531
P2: (5 Cplx.) BDB pKi= -5.3
24 8.8 0.9502901773KMR (100%) + EQN_A_3
QMean=0.541
P1: (15 Cplx.) BDB pKd= -5.3
25 5.6 2.1501354533A9E (100%) + REA_B_5
QMean=0.528
P2: (3 Cplx.) BDB pKi= -5.3
26 6.2 1.8501354591EXX (82%) + 961_A_2
QMean=0.549
P3: (3 Cplx.) BDB pKi= -5.4
27 9.5 0.4501014441FCX (83%) + 184_A_2
QMean=0.538
P1: (6 Cplx.) BDB pKd= -5.4
28 6.0 2.3501354564JYH (85%) + JYH_B_6
QMean=0.511
P1: (3 Cplx.) BDB pKi= -5.6
29 5.7 1.7500525901FD0 (83%) + 254_A_2
QMean=0.538
P1: (5 Cplx.) BDB pKi= -5.6
30 6.7 2.3501354544JYG (85%) + 1NY_B_7
QMean=0.508
P1: (4 Cplx.) BDB pKi= -5.6
31 6.0 2.2500616211EXA (82%) + 394_A_2
QMean=0.531
P1: (8 Cplx.) BDB pKi= -5.7
32 6.9 2.2501415924JYH (85%) + JYH_B_6
QMean=0.511
P2: (5 Cplx.) BDB pKi= -5.7
33 7.8 0.8500326711FD0 (83%) + 254_A_2
QMean=0.538
P1: (11 Cplx.) BDB pKi= -5.7
34 7.6 1.8500525893A9E (100%) + REA_B_5
QMean=0.528
P1: (10 Cplx.) BDB pKi= -5.7
35 10.9 0.1500515511FD0 (83%) + 254_A_2
QMean=0.538
P1: (14 Cplx.) BDB pKd= -5.7
36 6.3 2.2500616193A9E (100%) + REA_B_5
QMean=0.528
P1: (8 Cplx.) BDB pKi= -5.8
37 9.4 1.4502900834JYH (85%) + JYH_B_6
QMean=0.511
P1: (8 Cplx.) BDB pKi= -5.8
38 7.7 2.1500616153KMZ (100%) + EQO_A_10
QMean=0.499
P1: (14 Cplx.) BDB pKi= -5.9
39 7.2 1.4500616164DM6 (86%) + TTB_A_5
QMean=0.486
P1: (13 Cplx.) BDB pKi= -5.9
40 8.8 0.9500482761FD0 (83%) + 254_A_2
QMean=0.538
P1: (8 Cplx.) BDB pKi= -5.9
41 5.9 1.9500616181FD0 (83%) + 254_A_2
QMean=0.538
P1: (5 Cplx.) BDB pKi= -6.0
42 9.3 1.0500830484DM6 (86%) + TTB_A_5
QMean=0.486
P1: (8 Cplx.) BDB pKd= -6.0
43 10.5 0.4500482921FD0 (83%) + 254_A_2
QMean=0.538
P1: (11 Cplx.) BDB pKi= -6.0
44 6.2 2.0500616174JYI (85%) + JYI_A_5
QMean=0.495
P1: (7 Cplx.) BDB pKi= -6.0
45 8.8 1.0500482931EXA (82%) + 394_A_2
QMean=0.531
P1: (14 Cplx.) BDB pKi= -6.0
46 11.7 0.6500753474JYG (85%) + 1NY_B_7
QMean=0.508
P1: (15 Cplx.) BDB pKd= -6.0
47 8.4 0.6500330791FD0 (83%) + 254_A_2
QMean=0.538
P1: (13 Cplx.) BDB pKi= -6.0
48 11.3 0.3500753484JYI (85%) + JYI_A_5
QMean=0.495
P1: (15 Cplx.) BDB pKd= -6.0
49 7.5 0.7500326751FD0 (83%) + 254_A_2
QMean=0.538
P1: (10 Cplx.) BDB pKi= -6.0
50 9.7 0.5500482801FCY (84%) + 564_A_2
QMean=0.534
P1: (8 Cplx.) BDB pKi= -6.0
51 9.2 1.0502900781FD0 (83%) + 254_A_2
QMean=0.538
P1: (11 Cplx.) BDB pKi= -6.1
52 8.1 1.3500482903KMR (100%) + EQN_A_3
QMean=0.541
P1: (15 Cplx.) BDB pKi= -6.1
53 9.7 0.7502900821FCY (84%) + 564_A_2
QMean=0.534
P1: (10 Cplx.) BDB pKi= -6.1
54 9.7 0.8502901854JYG (85%) + 1NY_B_7
QMean=0.508
P1: (10 Cplx.) BDB pKd= -6.2
55 9.6 1.1500482783KMZ (100%) + EQO_A_10
QMean=0.499
P1: (11 Cplx.) BDB pKi= -6.2
56 9.9 0.5500482813KMR (100%) + EQN_A_3
QMean=0.541
P2: (4 Cplx.) BDB pKi= -6.2
57 10.7 0.3500515521FD0 (83%) + 254_A_2
QMean=0.538
P1: (12 Cplx.) BDB pKd= -6.2
58 10.0 1.4500482843KMZ (100%) + EQO_A_10
QMean=0.499
P2: (5 Cplx.) BDB pKi= -6.2
59 9.7 0.5501223513KMR (100%) + EQN_A_3
QMean=0.541
P3: (3 Cplx.) BDB pKd= -6.2
60 9.5 0.8502900814JYH (85%) + JYH_B_6
QMean=0.511
P1: (11 Cplx.) BDB pKi= -6.3
61 9.3 0.6500482771FD0 (83%) + 254_A_2
QMean=0.538
P1: (10 Cplx.) BDB pKi= -6.3
62 9.3 0.9500482851EXA (82%) + 394_A_2
QMean=0.531
P1: (14 Cplx.) BDB pKi= -6.4
63 6.1 1.2500525881FD0 (83%) + 254_A_2
QMean=0.538
P1: (7 Cplx.) BDB pKi= -6.5
64 10.8 0.2500551134JYG (85%) + 1NY_B_7
QMean=0.508
P1: (14 Cplx.) BDB pKd= -6.5
65 8.8 0.6500978221DKF (100%) + BMS_C_3
QMean=0.576
P2: (4 Cplx.) BDB pKd= -6.5
66 10.5 0.9500753504JYH (85%) + JYH_B_6
QMean=0.511
P1: (15 Cplx.) BDB pKd= -6.6
67 11.5 0.6500753544JYG (85%) + 1NY_B_7
QMean=0.508
P1: (15 Cplx.) BDB pKd= -6.6
68 10.3 1.1500753554JYG (85%) + 1NY_B_7
QMean=0.508
P1: (13 Cplx.) BDB pKd= -6.7
69 8.7 0.5500978231DKF (100%) + BMS_C_3
QMean=0.576
P1: (13 Cplx.) BDB pKd= -6.8
70 10.7 0.6500753454JYH (85%) + JYH_B_6
QMean=0.511
P1: (15 Cplx.) BDB pKd= -6.8
71 9.1 0.5500978211DKF (100%) + BMS_C_3
QMean=0.576
P2: (5 Cplx.) BDB pKd= -6.9
72 10.3 0.6500551144JYH (85%) + JYH_B_6
QMean=0.511
P1: (15 Cplx.) BDB pKd= -6.9
73 10.7 0.1318861FCY (84%) + 564_A_2
QMean=0.534
P1: (12 Cplx.) BDB pKd= -6.9
74 8.7 1.1500482951FD0 (83%) + 254_A_2
QMean=0.538
P1: (15 Cplx.) BDB pKi= -6.9
75 10.0 1.2502901794JYG (85%) + 1NY_B_7
QMean=0.508
P1: (10 Cplx.) BDB pKd= -6.9
76 9.8 0.5500978204JYG (85%) + 1NY_B_7
QMean=0.508
P1: (15 Cplx.) BDB pKd= -6.9
77 8.7 1.1500978241EXA (82%) + 394_A_2
QMean=0.531
P1: (14 Cplx.) BDB pKd= -6.9
78 10.5 1.2500753434JYG (85%) + 1NY_B_7
QMean=0.508
P1: (9 Cplx.) BDB pKd= -7.0
79 11.0 0.6500753514JYG (85%) + 1NY_B_7
QMean=0.508
P1: (10 Cplx.) BDB pKd= -7.0
80 9.7 0.5500551124JYH (85%) + JYH_B_6
QMean=0.511
P1: (11 Cplx.) BDB pKd= -7.0
81 8.2 0.8501438244DM6 (86%) + TTB_A_5
QMean=0.486
P2: (5 Cplx.) BDB pKi= -7.0
82 8.3 1.7500452681FD0 (83%) + 254_A_2
QMean=0.538
P1: (14 Cplx.) BDB pKd= -7.1
83 10.9 0.8500753424JYH (85%) + JYH_B_6
QMean=0.511
P1: (15 Cplx.) BDB pKd= -7.1
84 11.2 0.3500515541FD0 (83%) + 254_A_2
QMean=0.538
P1: (15 Cplx.) BDB pKd= -7.1
85 10.5 0.6500753463KMZ (100%) + EQO_A_10
QMean=0.499
P1: (13 Cplx.) BDB pKd= -7.2
86 9.8 0.9502901784JYI (85%) + JYI_A_5
QMean=0.495
P1: (12 Cplx.) BDB pKd= -7.2
87 10.7 0.9500753524JYH (85%) + JYH_B_6
QMean=0.511
P1: (15 Cplx.) BDB pKd= -7.2
88 11.0 0.0500515531FD0 (83%) + 254_A_2
QMean=0.538
P1: (14 Cplx.) BDB pKd= -7.2
89 7.4 1.6318924DM6 (86%) + TTB_A_5
QMean=0.486
P1: (14 Cplx.) BDB pKd= -7.3
90 5.8 2.1501297203A9E (100%) + REA_B_5
QMean=0.528
P1: (6 Cplx.) BDB pKi= -7.3
91 10.3 0.7502901844JYH (85%) + JYH_B_6
QMean=0.511
P1: (15 Cplx.) BDB pKd= -7.3
92 10.9 0.9500753443KMZ (100%) + EQO_A_10
QMean=0.499
P1: (13 Cplx.) BDB pKd= -7.4
93 10.9 0.7500753493KMZ (100%) + EQO_A_10
QMean=0.499
P1: (15 Cplx.) BDB pKd= -7.4
94 10.5 0.9500753533KMZ (100%) + EQO_A_10
QMean=0.499
P1: (15 Cplx.) BDB pKd= -7.4
95 10.1 0.6500524143KMR (100%) + EQN_A_3
QMean=0.541
P3: (4 Cplx.) BDB pKd= -7.4
96 10.5 0.0500978191FCY (84%) + 564_A_2
QMean=0.534
P1: (14 Cplx.) BDB pKd= -7.4
97 9.3 0.9500322194JYI (85%) + JYI_A_5
QMean=0.495
P1: (10 Cplx.) BDB pKd= -7.6
98 9.0 1.1500758763KMZ (100%) + EQO_A_10
QMean=0.499
P1: (15 Cplx.) BDB pKd= -7.8
99 9.8 1.5500758774DM6 (86%) + TTB_A_5
QMean=0.486
P1: (15 Cplx.) BDB pKd= -7.8
100 10.4 1.2500758803KMZ (100%) + EQO_A_10
QMean=0.499
P1: (14 Cplx.) BDB pKd= -7.9
101 9.1 0.9500758784JYI (85%) + JYI_A_5
QMean=0.495
P1: (12 Cplx.) BDB pKd= -7.9
102 8.1 1.1318911FCX (83%) + 184_A_2
QMean=0.538
P1: (9 Cplx.) BDB pKd= -7.9
103 8.6 1.3500758813KMZ (100%) + EQO_A_10
QMean=0.499
P1: (8 Cplx.) BDB pKd= -7.9
104 10.8 0.6500297744JYG (85%) + 1NY_B_7
QMean=0.508
P1: (15 Cplx.) BDB pKd= -8.1
105 9.9 1.2500520334JYI (85%) + JYI_A_5
QMean=0.495
P1: (15 Cplx.) BDB pKi= -8.1
106 9.9 1.2500616254JYH (85%) + JYH_B_6
QMean=0.511
P1: (10 Cplx.) BDB pKi= -8.2
107 9.9 0.9501200644DM6 (86%) + TTB_A_5
QMean=0.486
P2: (5 Cplx.) BDB pKd= -8.2
108 10.2 1.6500524124JYH (85%) + JYH_B_6
QMean=0.511
P1: (8 Cplx.) BDB pKd= -8.2
109 8.0 0.8318833KMR (100%) + EQN_A_3
QMean=0.541
P3: (4 Cplx.) BDB pKi= -8.3
110 6.8 1.2500758794JYI (85%) + JYI_A_5
QMean=0.495
P2: (4 Cplx.) BDB pKd= -8.3
111 9.8 1.1500482961FCX (83%) + 184_A_2
QMean=0.538
P1: (15 Cplx.) BDB pKi= -8.3
112 10.7 1.4500524134JYG (85%) + 1NY_B_7
QMean=0.508
P1: (7 Cplx.) BDB pKd= -8.4
113 9.9 1.1501200634JYG (85%) + 1NY_B_7
QMean=0.508
P1: (11 Cplx.) BDB pKd= -8.5
114 8.5 0.7502901374DM6 (86%) + TTB_A_5
QMean=0.486
P1: (5 Cplx.) BDB pKi= -8.5
115 10.3 1.5501200654JYH (85%) + JYH_B_6
QMean=0.511
P2: (7 Cplx.) BDB pKd= -8.5
116 10.4 0.7501200664JYG (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



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