On Target PR_SARS 0.2189781/CHEMBL1092796
For the given ligand Shikonin, we have found in our database that, being scored 0.2189781, the most similar ligand is CHEMBL1092796. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL1092796 (Similar Ligand) |
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| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | CC1=CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 |
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| 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 | 00000402 01040000 00000800 00080000 40402000 00000001 00000080 02000402 01000000 00100000 00000200 40404200 80028000 20000000 00000404 0008040c 00000000 00000020 02092080 00020001 00002001 00000280 01008000 00000812 00200000 00000000 00404240 80800000 00004000 00000000 24820000 04000000 |