On Target RT_HIV1 0.0942029/CHEMBL4225441
For the given ligand 3, we have found in our database that, being scored 0.0942029, the most similar ligand is CHEMBL4225441. Check out the elaboration below.
| 3 (Given Ligand) | CHEMBL4225441 (Similar Ligand) |
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| C=CC1C/C=C\SS1 | C=C(C)[C@@H]1CC[C@]2(CN(C)CCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| 00000000 40000010 60000000 40100000 00000000 80200900 00000000 00000400 00080008 00100000 40000000 40400000 10000000 00040000 00000000 00010000 00000000 00040000 00000400 00140001 00000040 00000000 00200000 00000010 00000000 00000100 00000001 80104010 00020000 00002000 04001000 01010000 | 00000000 45000c00 20100302 48150600 00000000 00004000 80000080 20000402 00020900 021a49e0 08302000 40018800 00028006 00240000 80000402 00080008 04000400 02010020 02012000 00000201 01000100 18020a30 00008260 04580014 01200000 80000000 00406000 d0000000 00400002 01060012 e4020000 02012620 |