| Sr. no. | PubChem ID | Compound name | -score | RMSD value | Residues |
| 1 | 9823887 | Rosavin | -15.40 | 1.64 | Arg339, Asn361, Lys146, Cys309 | 2 | 135926572 | Betaxanthin | -14.64 | 2.45 | Arg339, His311, Lys146 | 3 | 5280343 | Quercetin | -14.24 | 1.13 | Arg339, Arg139, Arg390, His230 | 4 | 12303287 | Citromitin | -13.73 | 1.33 | Arg339, Arg139, Thr382 | 5 | 70695727 | Pluviatilol | -13.01 | 1.14 | Arg560, Val533, His554, Pro514, Asn516 | 6 | 441886 | Digitogenin | -13.15 | 0.83 | Arg339, Arg139, Glu143, Lys146, Asn361 | 7 | 441801 | Ichangin | -12.99 | 2.52 | Arg202, Tyr205, Thr532, Asn177 | 8 | 272822441 | Methyl deacetylnomilinate | -12.45 | 2.17 | Arg339, Arg139 | 9 | 274366689 | Kobusinol A | -12.25 | 1.30 | Arg339, Arg139, Asn361, His311 | 10 | 13857944 | Cyclocalamin | -12.34 | 1.04 | Arg139, Asn179, Lys146 |
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