On Target NA_INFB 0.29761904/CHEMBL79499
For the given ligand Rosmarinic acid, we have found in our database that, being scored 0.29761904, the most similar ligand is CHEMBL79499. Check out the elaboration below.
| Rosmarinic acid (Given Ligand) | CHEMBL79499 (Similar Ligand) |
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| O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc2ccc(O)c(O)c2)C(=O)O | 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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| 00040000 42000008 20000500 00010200 00000041 40000000 82000080 00000440 01800800 00080840 48100000 4010d080 0c008002 00000000 00040002 00088008 08020400 82000000 24418018 00020201 00010120 08000a00 05000041 08400014 00001c00 80000000 00522000 40000420 00400200 00020102 04000000 02000410 | 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 |