On Target NS3_HCV1A 0.60674155/CHEMBL296588
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.60674155, the most similar ligand is CHEMBL296588. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL296588 (Similar Ligand) |
|---|---|
| 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)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C |
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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 | 00030000 01007000 00100000 04000400 00180080 00000000 00000000 20000008 00200000 00000080 00200000 40033000 1600800a 00802001 80180000 00080008 10000000 00000000 01c02000 00000201 00000000 30040e10 03000083 02100018 00000001 00000000 00000000 10000000 08000000 00040001 20024000 00802a00 |