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S.No Database ID 2D Structure Drugs Names SMILES Target Docking Score
1 SANC00861 Malabaricone c O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O RdRp -10.20
2 SANC00414 Spongotine A O=C(C1=N[C@@H](c2c[nH]c3cc(Br)ccc23)CN1)c1c[nH]c2ccccc12 RdRp -9.45
3 SANC00471 Drimiopsin A COc1c(O)c(OC)c2oc3cc(O)cc(C)c3c(=O)c2c1O RdRp -9.20
4 SANC00470 Drimiopsin E COc1cc(O)c2c(=O)c3c(C)cc(O)cc3oc2c1O RdRp -8.62
5 SANC00522 (E)-2',4'-Dihydroxychalcone O=C(/C=C/c1ccccc1)c1ccc(O)cc1O RdRp -8.55
6 SANC00317 Quercetin O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 RdRp -8.21
7 SANC00980 3-O-Methylquercetin COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O RdRp -8.13
8 SANC00286 Catechin Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 RdRp -8.13
9 SANC00986 Dibenzo-1,4-dioxin-1,3,6,8-tetraol Oc1cc(O)c2c(c1)Oc1c(O)cc(O)cc1O2 RdRp -8.12
10 SANC01131 Nepetin COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O RdRp -8.11
11 SANC00954 Taxifolin C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O M2-1 -6.36
12 SANC00385 Reticuline COc3ccc(C[C@H]2c1cc(O)c(OC)cc1CCN2C)cc3O M2-1 -6.29
13 SANC00361 4'-O-demethyleucomol O=C2c1c(O)cc(O)cc1OC[C@@]2(O)Cc3ccc(O)cc3 M2-1 -6.01
14 SANC00320 Eriodictyol O=C2C[C@@H](c1ccc(O)c(O)c1)Oc3cc(O)cc(O)c23 M2-1 -5.84
15 SANC01043 Hesperetin COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O M2-1 -5.65
16 SANC00317 Quercetin O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23 M2-1 -5.61
17 SANC00520 (2S)-5,7,2'-Trihydroxyflavanone O=C2C[C@@H](c1ccccc1O)Oc3cc(O)cc(O)c23 M2-1 -5.54
18 SANC00286 Catechin Oc3cc(O)c2C[C@H](O)[C@@H](c1ccc(O)c(O)c1)Oc2c3 M2-1 -5.15
19 SANC00951 Butin C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O M2-1 -5.05
20 SANC00992 Luteolin C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O M2-1 -4.90
21 SANC00101 Epicatechin c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O M2-2 -6.35
22 SANC00286 Catechin Oc3cc(O)c2C[C@H](O)[C@@H](c1ccc(O)c(O)c1)Oc2c3 M2-2 -6.06
23 SANC00361 4'-O-demethyleucomol O=C2c1c(O)cc(O)cc1OC[C@@]2(O)Cc3ccc(O)cc3 M2-2 -5.98
24 SANC00317 Quercetin O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23 M2-2 -5.87
25 SANC00856 Erythrinin C CC(C)(C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)O M2-2 -5.59
26 SANC00992 Luteolin C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O M2-2 -5.57
27 SANC00986 Dibenzo-1,4-dioxin-1,3,6,8-tetraol C1=C(C=C2C(=C1O)OC3=CC(=CC(=C3O2)O)O)O M2-2 -5.38
28 SANC00643 Afzelechin c1cc(ccc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O M2-2 -5.33
29 SANC00242 Eucomol COc3ccc(C[C@]2(O)COc1cc(O)cc(O)c1C2=O)cc3 M2-2 -5.32
30 SANC00954 Taxifolin C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O M2-2 -5.17
31 SANC01127 Pedalitin COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O Fusion glycoprotein -7.82
32 SANC01131 Nepetin COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O Fusion glycoprotein -7.12
33 SANC01025 Pyrogallol C1=CC(=C(C(=C1)O)O)O Fusion glycoprotein -6.44
34 SANC00986 Dibenzo-1,4-dioxin-1,3,6,8-tetraol C1=C(C=C2C(=C1O)OC3=CC(=CC(=C3O2)O)O)O Fusion glycoprotein -6.42
35 SANC00439 Shinanolone Cc2cc(O)c1C(=O)CC[C@@H](O)c1c2 Fusion glycoprotein -6.38
36 SANC00992 Luteolin C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O Fusion glycoprotein -5.93
37 SANC00529 Poleevansin COc2c(O)c(O)c(O)c3C(=O)C(=Cc1ccc(O)cc1)COc23 Fusion glycoprotein -5.77
38 SANC00231 Autumnariol Cc2cc(O)cc3oc(=O)c1c(O)cccc1c23 Fusion glycoprotein -5.63
39 SANC00950 Orobol C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O Fusion glycoprotein -5.52
40 SANC00520 (2S)-5,7,2'-Trihydroxyflavanone O=C2C[C@@H](c1ccccc1O)Oc3cc(O)cc(O)c23 Fusion glycoprotein -5.47
41 SANC00555 12,13-Dihydroxychina-8,11,13-trien-7-one [H][C@@]23CC(=O)c1cc(O)c(O)c(C(C)C)c1[C@@]2(C)CCCC3(C)C Phosphoprotein -4.33
42 SANC00225 (R)-5,6-Dihydroxy-7- methoxy-3-(4'-hydroxybenzyl)chroman-4-one COc3cc2OC[C@@H](Cc1ccc(O)cc1)C(=O)c2c(O)c3O Phosphoprotein -3.82
43 SANC00182 Tsitsikammafuran CC(C)c2ccc(C)cc2Cc1ccoc1 Phosphoprotein -3.28
44 SANC01025 Pyrogallol C1=CC(=C(C(=C1)O)O)O Phosphoprotein -3.12
45 SANC00871 Ivalin C[C@@]12C[C@@H](CC(=C)[C@H]1C[C@@H]3[C@H](C2)OC(=O)C3=C)O Phosphoprotein -2.96
46 SANC00205 (-)-4-Bromo-8-chloro-3,7-dimethyl-2E,6E-octadienal C/C(=C\CC(Br)/C(C)=C/C=O)CCl Phosphoprotein -2.83
47 SANC00802 Coniine CCCC1CCCCN1 Phosphoprotein -2.66
48 SANC00661 Cyclodeca[b]furan-6-carboxaldehyde, 10-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxo-, [3aS-(3aR*,6Z,10Z,11aS*)]- (9CI) [H][C@@]12C=C(COC(C)=O)CCC=C(C=O)CC[C@@]1([H])C(=C)C(=O)O2 Phosphoprotein -1.98
49 SANC00609 Tegerrardin B O=C2c1c(cccc1)N(c3c2c(OC\C=C(/C)C)cc(O)c3)C Phosphoprotein -1.17
50 SANC00256 Makaluvic acid C C1CNC(=O)C2=C(NC=C21)C(=O)O Phosphoprotein -1.16
51 SANC00317 Quercetin O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc(O)cc(O)c23 Matrix Protein -8.12
52 SANC00845 Arbutin C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Matrix Protein -8.11
53 SANC00286 Catechin Oc3cc(O)c2C[C@H](O)[C@@H](c1ccc(O)c(O)c1)Oc2c3 Matrix Protein -7.86
54 SANC00101 Epicatechin c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O Matrix Protein -7.13
55 SANC00756 Esculetin O=c1ccc2c(o1)cc(c(c2)O)O Matrix Protein -6.35
56 SANC00824 apigenin C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O Matrix Protein -6.35
57 SANC00969 N-Acetylhystrine CC(=O)N1CCCC(=C1)C2=NCCCC2 Matrix Protein -6.23
58 SANC00955 Indole-3-acetic acid C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O Matrix Protein -6.06
59 SANC00953 Ferulic acid COC1=C(C=CC(=C1)/C=C/C(=O)O)O Matrix Protein -5.95
60 SANC00679 Combretastatin B-4 COc2cc(CCc1ccc(O)c(O)c1)cc(OC)c2 Matrix Protein -5.85
61 SANC01043 Hesperetin COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O Nucleoprotein -7.00
62 SANC00106 Kaempferol O=C1c3c(O/C(=C1/O)c2ccc(O)cc2)cc(O)cc3O Nucleoprotein -6.56
63 SANC01005 Isojacareubin CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O)O)C Nucleoprotein -6.42
64 SANC00414 Spongotine A c1ccc2c(c1)c(c[nH]2)C(=O)C3=N[C@H](CN3)c4c[nH]c5c4ccc(c5)Br Nucleoprotein -6.32
65 SANC00992 Luteolin C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O Nucleoprotein -6.19
66 SANC00937 5,7,2'-Trihydroxyflavone C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O Nucleoprotein -5.82
67 SANC00101 Epicatechin c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O Nucleoprotein -5.78
68 SANC00435 Isodiospyrin CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O Nucleoprotein -5.76
69 SANC00438 Neodiospyrin Cc4cc(O)c3c(=O)c(c1c(C)cc(O)c2c(=O)ccc(=O)c12)cc(=O)c3c4 Nucleoprotein -5.74
70 SANC00346 Kraussianone 3 CC(C)(O)CCc4c(O)cc3occ(c2cc1C=CC(C)(C)Oc1cc2O)c(=O)c3c4O Nucleoprotein -5.66
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