On Target NS3_HCV1A 0.278481/CHEMBL3639445
For the given ligand Darunavir, we have found in our database that, being scored 0.278481, the most similar ligand is CHEMBL3639445. Check out the elaboration below.
| Darunavir (Given Ligand) | CHEMBL3639445 (Similar Ligand) |
|---|---|
| CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)OCCF)C1CCCCC1)C1CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 00000012 01c07401 0110050a 01b10700 002800d0 00028000 00002800 a8000044 00742a00 014809e0 08302004 60018010 00008002 02200101 80e80040 003a9008 10822000 02080000 11408800 01007603 c0100120 18280c90 27100040 d9500058 02000400 8000100e 00000000 3420006c 04000600 2006001b 80200000 00012670 | 000100a0 09403000 06100000 05210700 80180000 00018010 000a0000 20001408 10800200 0010c188 00602000 4001b000 0e01803a 01002011 a0400400 001a1008 04824000 00480000 46412810 00004201 00000220 30040e70 01000003 32d00038 00000400 00400002 00000200 90200030 08000200 c0040081 e4024004 00012e60 |