On Target RT_HIV1 0.30327868/CHEMBL3775172
For the given ligand DB00176, we have found in our database that, being scored 0.30327868, the most similar ligand is CHEMBL3775172. Check out the elaboration below.
| DB00176 (Given Ligand) | CHEMBL3775172 (Similar Ligand) |
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| COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1 | C=C(C)[C@@H]1CC[C@]2(C(=O)O)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 01000000 00900102 00050f00 00080000 10000000 10000440 00002000 00108948 00080851 09110000 40008801 00000800 01a00000 00000000 00090018 00800000 02000000 80406400 00800401 00000100 08008000 03000000 00400010 00000000 80000004 48000100 92000000 0000020a 00060002 40180000 00000600 | 00010000 01000800 00000302 40050200 00080000 00004000 80000080 00000402 00000900 00188848 08100000 40009800 04028008 00a00000 00000402 00080008 00000400 02000020 02402000 00000001 01000100 08020a20 01008020 00400014 01200000 80000000 00406000 c0000000 00400002 01020002 e4020000 00000400 |