On Target NP_HCoV-OC43 0.13454546/CHEMBL3233481
For the given ligand Simeprevir, we have found in our database that, being scored 0.13454546, the most similar ligand is CHEMBL3233481. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL3233481 (Similar Ligand) |
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| 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 | CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl |
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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 | 00004002 00800000 00004020 00000600 00040000 00000060 00000000 00000000 06000000 40000a60 04280004 4000a000 00008800 00702000 00100040 00040004 00040000 00000008 08200000 00000004 40100000 28008608 20802000 80100002 00000000 40000000 00000000 00000080 08008000 00060001 00044000 00020200 |