Screening Results : Docking based on all models from entry : PF00105_VDR_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 10.6 0.6503297043AZ1 (83%) + DS2_A_2
QMean=0.747
P1: (10 Cplx.) BDB pKi= -6.5
2 10.0 0.9930611IE8 (83%) + KH1_B_2
QMean=0.738
P1: (20 Cplx.) BDB pKi= -9.7
3 10.5 1.0503297073AZ3 (83%) + DS6_A_2
QMean=0.753
P1: (12 Cplx.) BDB pKi= -8.0
4 9.9 1.1503297053W0C (83%) + 6DS_A_2
QMean=0.751
P2: (7 Cplx.) BDB pKi= -6.1
5 10.1 1.1503297063AX8 (83%) + EIM_A_2
QMean=0.739
P2: (7 Cplx.) BDB pKi= -7.9
6 8.9 1.2930723A40 (83%) + 23R_X_2
QMean=0.761
P1: (20 Cplx.) BDB pKi= -9.5
7 8.5 1.2930643CS6 (83%) + 0CO_A_2
QMean=0.772
P1: (20 Cplx.) BDB pKi= -9.5
8 9.8 1.4930632O4J (75%) + VD4_A_3
QMean=0.731
P1: (20 Cplx.) BDB pKi= -9.5
9 10.8 1.4367222HAR (83%) + OCC_B_2
QMean=0.734
P2: (9 Cplx.) BDB pKi= -6.8
10 8.0 1.6501022483A40 (83%) + 23R_X_2
QMean=0.761
P1: (10 Cplx.) BDB pKd= -10.1
11 8.0 1.7501022513A3Z (83%) + 2MV_X_2
QMean=0.780
P1: (11 Cplx.) BDB pKd= -10.1
12 8.5 1.8930653AX8 (83%) + EIM_A_2
QMean=0.739
P1: (19 Cplx.) BDB pKi= -9.0
13 8.1 2.0930621RJK (75%) + VDZ_A_3
QMean=0.716
P1: (13 Cplx.) BDB pKi= -10.0
14 7.9 2.0930683AX8 (83%) + EIM_A_2
QMean=0.739
P1: (18 Cplx.) BDB pKi= -7.3
15 6.3 2.2504419133CS6 (83%) + 0CO_A_2
QMean=0.772
P1: (7 Cplx.) BDB pKi= -5.4
16 7.5 2.2502001821RJK (75%) + VDZ_A_3
QMean=0.716
P2: (6 Cplx.) BDB pKd= -10.2
17 6.4 2.2504419173CS6 (83%) + 0CO_A_2
QMean=0.772
P1: (8 Cplx.) BDB pKi= -4.7
18 6.6 2.2504419083CS6 (83%) + 0CO_A_2
QMean=0.772
P1: (8 Cplx.) BDB pKi= -6.0
19 7.5 2.2503699642HAS (83%) + C3O_B_2
QMean=0.727
P1: (10 Cplx.) BDB pKd= -9.5
20 6.4 2.2504419163A40 (83%) + 23R_X_2
QMean=0.761
P1: (8 Cplx.) BDB pKi= -5.0
21 6.6 2.2504419123A40 (83%) + 23R_X_2
QMean=0.761
P2: (6 Cplx.) BDB pKi= -5.5
22 6.6 2.2504419183A40 (83%) + 23R_X_2
QMean=0.761
P1: (7 Cplx.) BDB pKi= -5.2
23 6.6 2.2504419143A40 (83%) + 23R_X_2
QMean=0.761
P2: (6 Cplx.) BDB pKi= -5.0
24 6.3 2.2504419203A40 (83%) + 23R_X_2
QMean=0.761
P1: (8 Cplx.) BDB pKi= -4.6
25 6.4 2.2504419193A40 (83%) + 23R_X_2
QMean=0.761
P2: (6 Cplx.) BDB pKi= -5.0
26 6.6 2.2504419153A40 (83%) + 23R_X_2
QMean=0.761
P1: (6 Cplx.) BDB pKi= -5.1
27 6.6 2.2504419113A40 (83%) + 23R_X_2
QMean=0.761
P2: (7 Cplx.) BDB pKi= -5.7
28 8.1 2.3930672O4J (75%) + VD4_A_3
QMean=0.731
P2: (4 Cplx.) BDB pKi= -9.7
29 7.2 2.4930702HAM (83%) + C33_B_2
QMean=0.721
P1: (17 Cplx.) BDB pKi= -5.4
30 8.0 2.4930662O4J (75%) + VD4_A_3
QMean=0.731
P1: (20 Cplx.) BDB pKi= -8.7
31 6.8 2.4504419094G2I (83%) + 0VQ_A_2
QMean=0.756
P1: (8 Cplx.) BDB pKi= -5.8
32 7.5 2.4504419104G2I (83%) + 0VQ_A_2
QMean=0.756
P1: (10 Cplx.) BDB pKi= -5.7
33 7.5 2.4930693VRV (75%) + YSD_A_3
QMean=0.760
P1: (11 Cplx.) BDB pKi= -7.3
34 8.1 2.4367172HB8 (83%) + MVD_B_2
QMean=0.734
P1: (13 Cplx.) BDB pKi= -9.3

Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.51



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