On Target RDRP_SARS2 0.10367893/CHEMBL4065616
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.10367893, the most similar ligand is CHEMBL4065616. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL4065616 (Similar Ligand) |
|---|---|
| CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]3[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)C3(C)C | CCC(COC(=O)[C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N)C)CC |
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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 | 0020004a 81144109 f2103512 99010f60 452c80f4 8008c004 0303c401 00200a20 19404b00 010c0844 08189004 4ac7b168 00009802 02b30020 000e9040 028eba8c 084b8830 06800005 21662008 00665243 60120120 3e008a60 a7801cc6 08700110 10000400 80002000 0f0892c0 900388a0 0240128f 00c6cc36 55400280 22339c84 |