On Target NS3_HCV1A 0.24475524/CHEMBL4114169
For the given ligand DB01380, we have found in our database that, being scored 0.24475524, the most similar ligand is CHEMBL4114169. Check out the elaboration below.
| DB01380 (Given Ligand) | CHEMBL4114169 (Similar Ligand) |
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| CC(=O)OCC(=O)[C@]4(O)CC[C@H]3[C@@H]2CC/C1=C/C(=O)CC[C@]1(C)[C@H]2C(=O)C[C@@]34C | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 00050000 01000000 00000100 00010300 00080040 00000000 00000080 00000402 01000000 01128000 00000000 4000d000 04028008 00800000 00000400 00081008 00820000 80000020 03412000 02000001 00000020 00000a80 01008000 00000014 00200400 00000000 00404000 80000000 00000200 8100000a 24020000 02000000 | 000100a0 09003000 06100000 05210500 80180000 00000010 000a0000 20001408 10000000 0010c188 00602000 4001b000 0601803a 01002011 a0400400 00081008 04804000 00000000 46412000 00004201 00000020 30040630 01000003 32900038 00000400 00000000 00000200 90000010 08000200 c0040081 64024004 00012a60 |