On Target NS5B_HCV1A 0.5163399/CHEMBL68034
For the given ligand Nirmatrelvir Modify, we have found in our database that, being scored 0.5163399, the most similar ligand is CHEMBL68034. Check out the elaboration below.
| Nirmatrelvir Modify (Given Ligand) | CHEMBL68034 (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 | CC(C)COC(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)O)cc1F)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 | 00010000 01403a00 00100102 46050600 00000400 0001c010 00000000 2004000c 00900b80 000928c0 08300000 d001b800 0e008012 00203101 80000000 001e0408 010a0200 02080000 00000810 00000201 00000100 38260e30 01002003 c350001c 00000000 80001082 00000060 90200021 0c000200 0406800b e0004000 00402600 |