On Target RT_HIV1 0.37082067/CHEMBL3683705
For the given ligand Simeprevir, we have found in our database that, being scored 0.37082067, the most similar ligand is CHEMBL3683705. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL3683705 (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 | COC(=O)N[C@H](C(=O)NCC(F)(F)CC[C@@H](CO)N(Cc1cn[nH]c1)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1 |
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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 | 0003001a 5d803208 21100188 05b10610 000c1080 0001a0c0 04004801 2100900c 00c40a80 804818c0 08302a04 7001b000 0c20a022 00c42001 806024c0 001e140c 10022020 02080080 00602018 00226e01 c0000100 78240eb0 23900a01 db750058 02000800 ac000106 c0000020 d000002c 0c001680 2606000b a0004000 00412670 |