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. 2021 Sep 30;6(4):180. doi: 10.3390/tropicalmed6040180

Table 1.

Small Molecule Inhibitors against dengue NS3 and NS5.

Target Function PDB ID Compound Name Ki or KD (μM) IC50 (μM) References
NS5 MTase 3P8Z Compound 10 0.82 (N7), 0.17 (2′-O) na [73]
1R6A Ribavirin 5′-triphosphate 55 * 100 [74]
5EHI BF287 na 452 [75]
5EKX NB2E11 na >1000 [75]
5EHG BF341 na 369 [75]
5EIF NB2C3 na >1000 [75]
5EC8 BF175 na na [75]
5EIW NB3C2 na >1000 [75]
5E9Q BF174 na na [75]
4R8S Sinefungin 0.136 * 0.03 (N7), 0.04 (2′-O) [76,77,78]
na 1-TP 22 8.4 [79]
na 2-TP na 1.1 [79]
RdRp 5K5M Compound 27 na 0.173 [80]
5I3P Compound 27 na 0.048 [80]
5I3Q Compound 29 na 0.016 [80]
5IQ6 HeE1-2Tyr 1.96 1.5 [81]
5HMW Compound 5 154 * 177 [82]
5HMY Compound 15 1.4 * 1.7 [82]
6IZX RK-0404678 na 201 [83]
5HMX Compound 10 28 * 15 [82]
5HN0 Compound 4 >200 * 769 [82]
5HMZ Compound 23 0.12 * 0.34 [82]
3VWS NITD-107 225 * 113 [84]
5F3Z PC-79-SH52 29 * 140 [85]
5F3T JF-31-MG46 210 730 [85]
5F41 FD-83-KI26 67 * 210 [85]
6IZZ RK-0404678 na 287 [83]
NS3 Protease (NS2B-NS3) 4M9T DTNB na na [86]
3U1J Aprotinin 0.026 na [87,88]
6MO1 Compound 8 na 0.29 [89]
6MO2 Compound 9 na 0.59 [89]

IC50—Half maximal inhibitory concentration; Ki—inhibition constant; KD—dissociation constant; * indicates the value shown is a KD; PDB—protein data bank.