On Target NA_A-H3N8 0.14285715/CHEMBL4285767
For the given ligand 2a, we have found in our database that, being scored 0.14285715, the most similar ligand is CHEMBL4285767. Check out the elaboration below.
| 2a (Given Ligand) | CHEMBL4285767 (Similar Ligand) |
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| CC(=O)c1c(O)cc(O)cc1O | CCc1ccc(CN[C@H]2CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]2NC(C)=O)cc1 |
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| 00000001 00000808 20000101 00010200 00000000 00020000 02000000 00000200 00000000 00080840 08000000 40008000 00008002 00000000 00000000 00002008 00000000 02000000 00000000 00020800 00000000 08020200 00000000 00400014 00000000 80000000 00120000 00000000 00000000 00020002 80000000 00000400 | 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 |