On Target RT_HIV1 0.28712872/CHEMBL3775172
For the given ligand Zingerone, we have found in our database that, being scored 0.28712872, the most similar ligand is CHEMBL3775172. Check out the elaboration below.
| Zingerone (Given Ligand) | CHEMBL3775172 (Similar Ligand) |
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| COc1cc(CCC(C)=O)ccc1O | 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 43000008 2000010a 00010200 00001000 40000000 02000000 00000000 00000800 00080840 08100000 40009000 0400c002 20200000 01000001 00008008 00000000 02000000 00080008 00020201 00000100 08000200 00000000 00400010 00000800 80000000 00120000 00000000 00000200 00020002 00000000 00000400 | 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 |