On Target NS5B_HCV1A 0.52/CHEMBL13443
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.52, the most similar ligand is CHEMBL13443. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL13443 (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 | C=CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)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 | 00070000 01003400 00100000 04000400 00180000 00000010 00000000 20000408 04000000 000201a0 00200800 40013000 0e008032 01012001 80000000 00080008 00000000 00000101 00c00010 00000201 00000000 300c0e20 01000003 02100018 00001000 00000000 00080000 10000000 08000002 00040011 2c004000 02802a00 |