On Target NA_INFB 0.22727273/CHEMBL79499
For the given ligand Ethyl ferulate, we have found in our database that, being scored 0.22727273, the most similar ligand is CHEMBL79499. Check out the elaboration below.
| Ethyl ferulate (Given Ligand) | CHEMBL79499 (Similar Ligand) |
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| CCOC(=O)/C=C/c1ccc(O)c(OC)c1 | CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O |
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| 00000000 40000008 20000108 00010200 00001000 00000000 82000080 00000400 01800000 00000840 40000000 40108000 0400c002 00000000 01000003 00088008 00020400 02000000 20098018 00020200 00000000 08000a00 00000001 00400000 00001400 80000000 00422000 40000400 00400200 00020100 04000000 00000110 | 00070040 09007008 00100102 80010700 00180080 00000800 02080180 38000402 11000800 001808c8 48300000 41019001 0402801a 01a80000 00001408 00081008 10a04000 02000060 60c12010 00000201 00000120 38040e80 13008040 02500018 10001400 80001400 00c04000 90000001 0c000202 00060403 04020000 00000610 |