On Target NS5B_HCV1A 0.42122185/CHEMBL3644920
For the given ligand Simeprevir, we have found in our database that, being scored 0.42122185, the most similar ligand is CHEMBL3644920. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL3644920 (Similar Ligand) |
|---|---|
| COc7ccc6c(O[C@@H]4C[C@@H]3C(=O)N[C@]2(C(=O)NS(=O)(=O)C1CC1)C[C@H]2/C=C\CCCCN(C)C(=O)[C@@H]3C4)cc(c5nc(C(C)C)cs5)nc6c7C | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(c2ccc(-c3ccc(OC)cc3)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 |
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| 04070282 4d003008 20104908 11b10710 081c1020 02000000 060e0080 3819d44a 10210300 105888d9 0024ae04 5103ba00 0682c83a 01440081 91422441 020ca00c 0280c000 120021c4 40692010 32466a01 40000000 bd848698 a1808001 f2550038 02241000 8c000400 08624248 9000120c 0c10031e 85261481 e4164800 27a52a70 | 00016086 0d403c08 20100128 05310f00 20081000 00018000 020e0004 a0003409 10800200 00528be8 00202404 5001b000 0e00f012 0104a101 81420441 001a8008 02864010 02482000 4c610850 00024a01 60100100 bc070e10 31020003 3244003a 02112000 80001002 00020000 902000ec 0800c200 81060093 a4184000 01016270 |