On Target ACE2_HUMAN 0.27160493/CHEMBL252003
For the given ligand Shikonin, we have found in our database that, being scored 0.27160493, the most similar ligand is CHEMBL252003. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL252003 (Similar Ligand) |
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| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)C(=O)O |
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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 | 00010000 43005008 20100108 00110600 00001080 c0000000 82000000 20000004 00000880 020a08c0 08300000 4001b000 06008002 20040000 81080001 00080008 10000000 02000000 00482008 00020201 00400100 18200e00 03000140 85500018 00000800 80000000 00000000 10200040 04000280 00060003 20004400 03012600 |