On Target NA_A-H3N8 0.29710144/CHEMBL674
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.29710144, the most similar ligand is CHEMBL674. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL674 (Similar Ligand) |
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| CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC3C(C1C(=O)NC(C#N)CC2CCNC2=O)C3(C)C | CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O |
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| 00030000 01003000 00100000 04000400 00000000 000000d0 10000000 20000008 00200000 80000080 00200000 50033000 0600801a 01402001 80000000 00080008 00400000 00000000 00002000 00000205 00000000 30040630 03000403 02300018 00000000 00000000 00000100 90000000 08000000 00040001 20004000 00802380 | 00070040 09007000 00100000 80010500 00180080 00000800 02080180 38000402 11000000 00100088 40200000 41019001 0402801a 01880000 00001408 00081008 10a04000 00000060 60c12010 00000201 00000020 30040e80 13008000 02100018 10001400 00001400 00c04000 90000001 0c000200 00040401 04020000 00000210 |