On Target RT_HIV1 0.40151516/CHEMBL3775172
For the given ligand Shikonin, we have found in our database that, being scored 0.40151516, the most similar ligand is CHEMBL3775172. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL3775172 (Similar Ligand) |
|---|---|
| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | 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 |
|
|
|
|
|
|
| 00010000 43000c08 20000102 00010202 00010000 40828002 22001081 00000603 81040800 00988840 08100200 40409040 14028002 00200000 00000424 20082008 00000004 02100000 00712010 00020a01 00400100 080202c0 0100c040 00400014 00201000 84004401 00484000 80000000 00000002 00034002 a4000000 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 |