On Target PR_HIV1 0.849711/CHEMBL467420
For the given ligand Darunavir, we have found in our database that, being scored 0.849711, the most similar ligand is CHEMBL467420. Check out the elaboration below.
| Darunavir (Given Ligand) | CHEMBL467420 (Similar Ligand) |
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| 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 | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCCOCOC2)cc1 |
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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 | 00000010 01c05409 2110050a 01b10700 00281080 00028000 02002800 a8000004 00742a00 004809e0 08302000 60018010 00008002 02200101 81e80001 003a0008 10822000 02080000 10408800 01027603 80100100 18280c90 07100040 d9500058 02000000 8000100e 00800000 342000cc 04000600 20060013 80200000 00012670 |