On Target NA_A-H3N8 0.3483146/CHEMBL4285767
For the given ligand Nirmatrelvir Modify 02, we have found in our database that, being scored 0.3483146, the most similar ligand is CHEMBL4285767. Check out the elaboration below.
| Nirmatrelvir Modify 02 (Given Ligand) | CHEMBL4285767 (Similar Ligand) |
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| CC(C)(c1ccccc1)[C@H](NC(=O)C(F)(F)F)C(=O)N2C[C@H]4[C@@H]([C@H]2C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)C4(C)C | CCc1ccc(CN[C@H]2CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]2NC(C)=O)cc1 |
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| 00030000 01003200 00100100 04010600 00000000 000000d0 10000000 2000000c 00200880 800808c0 08300000 5003b000 0600801a 01402001 80000000 000c0008 00400000 02000000 00002008 00000205 00000100 38240630 03000403 83700018 00000800 80000000 00000100 90000000 0c000000 0006000b 20004000 00802780 | 00070040 09007000 00100100 84010700 00180080 00000800 02080180 3a00140a 11000100 001908c8 48200000 41019801 8402881a 01882000 00001408 00081008 10a04000 02000060 60c12010 00000201 00000020 38048e80 13008080 02500018 10001401 c0001400 00c04000 90000001 0c000300 00060403 24060000 00800e10 |