On Target NS3_HCV1A 0.22155689/CHEMBL3645746
For the given ligand DB01222, we have found in our database that, being scored 0.22155689, the most similar ligand is CHEMBL3645746. Check out the elaboration below.
| DB01222 (Given Ligand) | CHEMBL3645746 (Similar Ligand) |
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| CCC[C@H]5O[C@H]4C[C@H]3[C@@H]2CC/C1=C/C(=O)/C=C\[C@]1(C)[C@H]2[C@H](O)C[C@]3(C)[C@]4(C(=O)CO)O5 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC1CCCCO1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 00010042 81000000 00000000 00090100 003c0040 00200004 00000880 0a000402 01200000 01100020 00000000 4000d000 14028028 02800000 00000400 08289008 00800000 80000000 1341a000 00022001 00000021 00000280 05008000 08000814 00200400 00000000 00404000 a4000020 00000200 01000000 24a20000 00000000 | 000100e0 09003000 06100100 05210500 800c0000 00200010 000a0000 20001408 10000000 0010c188 00602000 4001b000 1601801a 01882011 a0400400 00081008 04204000 00000000 46c12000 00004201 00000020 30040630 01000083 32900038 00000401 00000000 00000000 90000010 08000200 c0040081 64024004 00012260 |