On Target NA_INFB 0.2208589/CHEMBL4175983
For the given ligand MOLECULE 78, we have found in our database that, being scored 0.2208589, the most similar ligand is CHEMBL4175983. Check out the elaboration below.
| MOLECULE 78 (Given Ligand) | CHEMBL4175983 (Similar Ligand) |
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| O=C(OCC7OC(n5c(=O)n(c1ccccc1)c(=O)c4c(c2ccco2)cc(c3ccccc3)nc45)C(OC(=O)c6ccccc6)C7OC(=O)c8ccccc8)c9ccccc9 | CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCCC3)cc2)[C@H]1NC(C)=O |
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| 0000a002 01e00a00 8008470c 92050700 003c00f0 0200e140 00009e42 00a81440 06506102 d18008f0 0c00182c 60118812 c2809c00 03f98150 10be10e0 0a1ef20c 08a64028 0280f800 1de08200 00601001 c04c00a0 18828a70 37802041 8d78041c 10040400 c0002002 64088271 18040871 04004305 0146040e c03c0840 420006a8 | 00074042 09007800 00100100 84010700 20180080 00002810 02080180 3a00140a 11000000 001108c8 40200004 41019001 0402881a 0188a000 00021448 00081008 10a44000 02000060 68c12010 00000201 40100020 38048e80 33008080 02500018 10001401 c0001400 00c04000 90000081 0c008300 00060401 24060000 00800a10 |