On Target ACE2_HUMAN 0.38636363/CHEMBL254900
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.38636363, the most similar ligand is CHEMBL254900. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL254900 (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 | CC[C@@H](C)[C@H](S)C(=O)N[C@@H](C)C(=O)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 | 00010000 01004000 00100000 00100400 00000080 00000000 80000000 20000000 00000000 02080080 00200000 40013000 06008002 00040000 80080000 00080008 10000000 00000000 00000000 00000201 00000000 10000e00 03000100 04100018 00000000 00000000 00000000 10000040 00000000 00040001 20004000 03010200 |