On Target PA_INFA 0.408/CHEMBL573638
For the given ligand Shikonin, we have found in our database that, being scored 0.408, the most similar ligand is CHEMBL573638. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL573638 (Similar Ligand) |
|---|---|
| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | O=C(O)/C(O)=C/C(=O)c1ccc(Oc2ccccc2)cc1 |
|
|
|
|
|
|
| 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 | 00000000 00000808 20000109 00010200 00001000 00800000 02040001 00000400 01000000 00980840 08000000 4000c000 80008002 00000000 01000001 00080008 00000400 02100000 00252010 00020800 00400000 18020a80 04008000 00400014 00001000 84004400 00520000 00200000 00004200 00020002 84000400 00000400 |