On Target ACE2_HUMAN 0.52100843/CHEMBL400526
For the given ligand Nirmatrelvir Modify 02, we have found in our database that, being scored 0.52100843, the most similar ligand is CHEMBL400526. Check out the elaboration below.
| Nirmatrelvir Modify 02 (Given Ligand) | CHEMBL400526 (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 | CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
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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 | 00010000 01005000 00100100 00110600 00000080 00000000 80000000 20000004 00000880 020a08c0 08300000 4001b000 06008002 00040000 80080000 00080008 10000000 02000000 00400008 00000201 00000100 18200e00 03000140 85500018 00000800 80000000 00000000 10000040 04000000 00060003 20004000 03012600 |