Research Article
Computational Drug Repurposing Approach to Identify Novel Inhibitors of ILK Protein for Treatment of Esophageal Squamous Cell Carcinoma
Table 3
Chemical structure for the screened compounds.
| | Drug name | InChI key | SMILES | 2D structure | | ZINC ID |
| | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F) (F)F)c2)cn1 | | | ZINC6716957 | | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O | | | ZINC4099009 |
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