On Target NA_INFB 0.29032257/CHEMBL348066
For the given ligand Darunavir, we have found in our database that, being scored 0.29032257, the most similar ligand is CHEMBL348066. Check out the elaboration below.
| Darunavir (Given Ligand) | CHEMBL348066 (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 | CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C(F)(F)F |
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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 | 00030000 89007600 00100101 80010701 00000081 000003c0 00080180 38800c04 01200080 801889e8 88200000 4003d200 8c028002 00480000 02081408 38099008 30200004 82000141 40c14010 00002205 00004020 382a0f80 17008000 8b70001c 00001400 80000c00 00c04000 90000121 0c004200 00060413 0c040000 00006600 |