On Target PA_INFA 0.25/CHEMBL2040569
For the given ligand Glecaprevir, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL2040569. Check out the elaboration below.
| Glecaprevir (Given Ligand) | CHEMBL2040569 (Similar Ligand) |
|---|---|
| CC(C)(C)[C@@H]7NC(=O)O[C@@H]1CCC[C@H]1OC/C=C/C(F)(F)c3nc2ccccc2nc3O[C@@H]6C[C@@H](C(=O)N[C@]5(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]5C(F)F)N(C6)C7=O | O=C(NCC1CC1)c1nc(-c2cnccn2)[nH]c(=O)c1O |
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| 0405208a 0f407019 44100508 15391712 801c18e0 86818914 0202a803 a0609648 10c52200 00d888f0 44a4a404 4085b010 0e00c812 0b442143 f1fe1140 021eb40c 1aaa0020 220a8100 20e08c10 00004201 50020060 bc148e30 37a08083 7a168038 02241403 4000d48a 08c08260 9020006d 08000304 07060803 a4044000 25012a70 | 00000202 00011808 40100100 10040e10 00000068 00124006 00c09800 28003405 16000100 401000a0 00290004 40040810 00008002 01708003 00820400 000c200c 08000068 1200b022 80c00000 10400201 00000000 50058600 21800040 4010011c 00044806 c0000680 28000030 90041004 0000410c 07660c01 e4008000 500002a0 |