On Target PR_SARS 0.6335878/CHEMBL2441741
For the given ligand Nirmatrelvir Modify 02, we have found in our database that, being scored 0.6335878, the most similar ligand is CHEMBL2441741. Check out the elaboration below.
| Nirmatrelvir Modify 02 (Given Ligand) | CHEMBL2441741 (Similar Ligand) |
|---|---|
| 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)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=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 | 01030000 01403200 00100100 04010600 00000000 0001c010 00000000 2000000c 00e00b00 000a08c0 08300000 4003b000 0e00801a 00012001 80000000 021e0008 00020000 02080400 00002898 00000201 00000100 38240e38 00000003 83500018 00000800 80002002 00000000 10200020 0c000200 0006000b e0004000 00802600 |