On Target NS5B_HCV2A 0.43870968/CHEMBL3127326
For the given ligand Nirmatrelvir Modify, we have found in our database that, being scored 0.43870968, the most similar ligand is CHEMBL3127326. Check out the elaboration below.
| Nirmatrelvir Modify (Given Ligand) | CHEMBL3127326 (Similar Ligand) |
|---|---|
| CC(C)(c1ccccc1)C(NC(=O)C(F)(F)F)C(=O)N2CC4C(C2C(=O)NC(C#N)CC3CCNC3=O)C4(C)C | COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C |
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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 | 00014002 01003800 00100122 c4010600 20000000 0001a010 00000000 22001008 00900a00 00080ac0 08380004 4001f000 0e008812 0030a001 80020440 00120008 00062000 02080000 08002010 00000201 40100100 38048e30 20012003 0250001a 00000000 c0000002 00000000 900000a0 08008302 00060003 a0044000 00002600 |