Screening Results : Docking based on all models from entry : PF00105_RXRB_MOUSE




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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 9.3 0.1500326761MVC (86%) + BM6_E_5
QMean=0.627
P1: (20 Cplx.) BDB pKd= -6.1
2 9.2 0.1500330791MVC (86%) + BM6_E_5
QMean=0.627
P1: (17 Cplx.) BDB pKd= -6.7
3 9.4 0.1500529584K6I (88%) + 9RA_A_3
QMean=0.585
P1: (19 Cplx.) BDB pKd= -6.5
4 9.1 0.2500400184K6I (88%) + 9RA_A_3
QMean=0.585
P1: (20 Cplx.) BDB pKd= -6.8
5 9.8 0.2500326771MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -6.8
6 9.1 0.2500529611MVC (86%) + BM6_E_5
QMean=0.627
P1: (18 Cplx.) BDB pKd= -5.5
7 9.4 0.2500326751MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKi= -7.7
8 9.3 0.3500326671MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -6.7
9 9.4 0.3500400141MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -7.0
10 9.4 0.3500326661MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -7.2
11 9.2 0.3500400121MVC (86%) + BM6_E_5
QMean=0.627
P1: (20 Cplx.) BDB pKd= -7.5
12 9.4 0.4500326621MVC (86%) + BM6_E_5
QMean=0.627
P1: (20 Cplx.) BDB pKd= -6.5
13 9.3 0.4500400131MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -7.0
14 8.7 0.4502901892P1V (86%) + 5TN_A_3
QMean=0.626
P1: (19 Cplx.) BDB pKi= -6.3
15 9.5 0.4500400161MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -7.4
16 9.2 0.4500400241MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -6.1
17 9.1 0.5502901882P1U (86%) + 4TN_A_3
QMean=0.622
P1: (19 Cplx.) BDB pKi= -8.0
18 9.5 0.5500326744K6I (88%) + 9RA_A_3
QMean=0.585
P1: (10 Cplx.) BDB pKd= -6.7
19 9.2 0.5500400231MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -6.0
20 9.1 0.5500529624K6I (88%) + 9RA_A_3
QMean=0.585
P1: (19 Cplx.) BDB pKd= -7.1
21 8.6 0.5500529591MVC (86%) + BM6_E_5
QMean=0.627
P1: (17 Cplx.) BDB pKd= -5.0
22 8.6 0.6500326651MVC (86%) + BM6_E_5
QMean=0.627
P1: (20 Cplx.) BDB pKd= -6.1
23 8.2 0.6500529571MVC (86%) + BM6_E_5
QMean=0.627
P1: (17 Cplx.) BDB pKd= -5.4
24 8.4 0.6500529601MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -6.0
25 9.1 0.6502901944POJ (88%) + 2VP_A_3
QMean=0.603
P1: (20 Cplx.) BDB pKi= -8.0
26 7.6 0.6500326681H9U (98%) + LG2_C_11
QMean=0.568
P2: (6 Cplx.) BDB pKd= -6.8
27 10.0 0.7501223514K4J (88%) + 1O8_A_3
QMean=0.605
P1: (19 Cplx.) BDB pKd= -8.2
28 9.7 0.7500326641MVC (86%) + BM6_E_5
QMean=0.627
P1: (9 Cplx.) BDB pKd= -7.2
29 9.6 0.8500326711MVC (86%) + BM6_E_5
QMean=0.627
P1: (11 Cplx.) BDB pKi= -7.0
30 9.4 0.8501223484POJ (88%) + 2VP_A_3
QMean=0.603
P1: (12 Cplx.) BDB pKd= -8.1
31 8.2 0.8318924M8H (88%) + R4M_A_3
QMean=0.617
P1: (11 Cplx.) BDB pKd= -7.8
32 9.5 0.8500400191H9U (98%) + LG2_C_11
QMean=0.568
P1: (20 Cplx.) BDB pKd= -6.4
33 9.7 0.8502901914M8E (88%) + 29V_A_3
QMean=0.579
P1: (17 Cplx.) BDB pKi= -7.4
34 10.5 0.8502901924PP3 (88%) + 2VZ_A_3
QMean=0.603
P1: (15 Cplx.) BDB pKi= -8.0
35 10.2 0.8501416054RFW (88%) + 3RB_A_3
QMean=0.619
P1: (19 Cplx.) BDB pKi= -5.0
36 10.7 0.9502901874RFW (88%) + 3RB_A_3
QMean=0.619
P1: (18 Cplx.) BDB pKi= -8.2
37 11.0 0.9502901864M8E (88%) + 29V_A_3
QMean=0.579
P1: (19 Cplx.) BDB pKi= -8.0
38 8.9 0.9502901934RFW (88%) + 3RB_A_3
QMean=0.619
P2: (8 Cplx.) BDB pKi= -7.6
39 9.8 0.9501223521MVC (86%) + BM6_E_5
QMean=0.627
P1: (19 Cplx.) BDB pKd= -7.7
40 10.0 1.0501415904RFW (88%) + 3RB_A_3
QMean=0.619
P1: (13 Cplx.) BDB pKi= -5.2
41 10.1 1.0502901904RFW (88%) + 3RB_A_3
QMean=0.619
P1: (17 Cplx.) BDB pKi= -6.6
42 9.3 1.0500400111H9U (98%) + LG2_C_11
QMean=0.568
P1: (20 Cplx.) BDB pKd= -6.8
43 10.6 1.0501223504K4J (88%) + 1O8_A_3
QMean=0.605
P1: (15 Cplx.) BDB pKd= -8.2
44 9.8 1.1501415934K4J (88%) + 1O8_A_3
QMean=0.605
P1: (20 Cplx.) BDB pKi= -5.2
45 9.4 1.1500400204POH (88%) + 2VR_A_3
QMean=0.591
P1: (20 Cplx.) BDB pKd= -6.6
46 9.7 1.1501415944PP3 (88%) + 2VZ_A_3
QMean=0.603
P1: (18 Cplx.) BDB pKi= -5.6
47 9.0 1.1500400154POH (88%) + 2VR_A_3
QMean=0.591
P1: (20 Cplx.) BDB pKd= -6.7
48 9.5 1.2500400174POH (88%) + 2VR_A_3
QMean=0.591
P1: (20 Cplx.) BDB pKd= -7.4
49 9.1 1.2500400214POH (88%) + 2VR_A_3
QMean=0.591
P1: (18 Cplx.) BDB pKd= -7.1
50 9.5 1.3500400104POH (88%) + 2VR_A_3
QMean=0.591
P1: (20 Cplx.) BDB pKd= -6.6
51 9.5 1.6501223491H9U (98%) + LG2_C_11
QMean=0.568
P1: (20 Cplx.) BDB pKd= -7.8
52 6.2 1.7318914RFW (88%) + 3RB_A_3
QMean=0.619
P3: (5 Cplx.) BDB pKd= -6.2

Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.29



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