On Target NS3_HCV1B 0.20670392/CHEMBL3125634
For the given ligand DB00997, we have found in our database that, being scored 0.20670392, the most similar ligand is CHEMBL3125634. Check out the elaboration below.
| DB00997 (Given Ligand) | CHEMBL3125634 (Similar Ligand) |
|---|---|
| COc4cccc5c(=O)c3c(O)c2C[C@](O)(C(=O)CO)C[C@H](O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1)c2c(O)c3c(=O)c45 | CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O |
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| 00050040 4b000808 2000050a 40050700 88281051 4002c402 17103c40 09000a01 00200900 01080ae8 2c100000 4000db40 04008002 22a90000 01044021 2a28b008 08a00a00 02000100 11d8a008 40020201 00101520 b8020260 07004068 0a420414 00000c00 e0002201 00080800 64800024 02000383 00074802 c2e00004 02400400 | 1001403a 05801800 011815e2 51b50e30 0408014c 08016040 0500ac05 00883101 16e00a01 f0083af0 08b8a06c 6010b980 05088808 03700801 80a309c2 08140004 8e246080 46504000 8a402408 00a06003 e0120580 78238700 21026800 0860041e 17048802 c1000704 48000410 900010ac 08048c1e 20c61811 803e2000 600383e8 |