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. 2016 Aug 17;6:31420. doi: 10.1038/srep31420

Table 1. Inhibitors docked in the PfPMV active site and their affinity values.

Sr No PDB ID (Name) Binding affinity (kcal/mol)
1 ROC (Saquinavir) −12.8
2 006 (KNI10006) −12.2
3 JE2 (KNI764) −11.7
4 K95 (KNI10395) −11.7
5 74A (SCH743813) −11.4
6 PB8 −11.4
7 BJC (BJC060) −11
8 ZY0 −11
9 SC6 (SCH745966) −10.7
10 VG5 −10.7
11 009 −10.7
12 1IN −10.7
13 3HF (BMS655295) −10.6
14 BAV (NVPBAV544) −10.5
15 Z75 (SCH743641) −10.4
16 AB1 (Lopinavir) −10.4
17 PB7 −10.3
18 318 (SCH726222) −10.3
19 VG6 −10.3
20 012 −10.3
21 PI5 −10.3
22 PI7 −10.3
23 L2T −10.3
24 314 −10.2
25 ZYE −10.2
26 PB0 −10.1
27 197 −10.1
28 MK1 −10.1
29 853 −10.1
30 LA1 −10.1
31 CS9 −10
32 F2I −10
33 3HF −10
34 JDC −10
35 VG4 −10
36 RIT (Ritonavir) −10
37 1UN (Nelfinavir) −9.9
38 VG7 −9.8
39 842 −9.8
40 316 −9.7
41 MR0 −9.7
42 PI4 −9.7
43 (RVIstatin) −9.7
44 CS5 −9.6
45 X22 −9.6
46 04C −9.5
47 1BH −9.5
48 SC7 −9.4
49 VG0 −9.3
50 1LI −9.3
51 X23 −9.3
52 L0I −9.2
53 51U −9.2
54 C20 −9.2
55 (KVLstatin) −9.1
56 (RVLstatin) −9
57 TZT −8.8
58 DFK −8.7
59 (Pepstatin) −8.7
60 A49 −8.3
61 FR1 −8.2
62 K7J −8.1
63 X93 −8
64 EAL −7.7
65 KHA −7.6