On Target PLP_SARS 0.30103806/CHEMBL213543
For the given ligand Simeprevir, we have found in our database that, being scored 0.30103806, the most similar ligand is CHEMBL213543. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL213543 (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 | CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |
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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 | 01030000 0140b000 00100100 04010600 00000000 0001c810 02100080 28000408 01a00300 001088c0 40200000 4003b000 0e028002 00012001 80000400 021a0008 20020000 02080500 20012890 00001201 00002000 38040fb0 00008003 02500018 00001400 8800ac02 00484000 90200120 08000200 00060001 ec004000 02802210 |