On Target NS3_HCV1A 0.25/CHEMBL4114169
For the given ligand Flurandrenolide, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL4114169. Check out the elaboration below.
| Flurandrenolide (Given Ligand) | CHEMBL4114169 (Similar Ligand) |
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| CC5(C)O[C@@H]4C[C@H]3[C@@H]2C[C@H](F)/C1=C/C(=O)CC[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)[C@@H]1CCCN1C(C)C)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 00010000 81000000 00100000 00010100 003c1440 00200004 00000880 08000402 01200000 01108020 00000000 4000d000 14028028 02800000 00000400 08281008 00800000 80000020 1341a000 00002001 00000020 00000280 05008000 08100014 00200400 00000000 00404020 b4000020 00000200 03000000 24a20000 00000200 | 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 |