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

Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.38



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