On Target NS3_HCV1B 0.10780669/CHEMBL3125634
For the given ligand Mercaptopurine, we have found in our database that, being scored 0.10780669, the most similar ligand is CHEMBL3125634. Check out the elaboration below.
| Mercaptopurine (Given Ligand) | CHEMBL3125634 (Similar Ligand) |
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| S=c1nc[nH]c2nc[nH]c12 | 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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| 0006000a 00801800 00082000 00000600 01000040 0000c000 03008000 00000000 00400100 00000000 00008004 00000000 00002000 00000000 00000000 000c0004 00000000 00000100 00400020 00000000 00080000 18000040 21800040 00000004 00000000 00000000 00000000 00000040 00000000 00420000 c0000000 00010088 | 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 |