On Target NA_INFB 0.2408377/CHEMBL4175983
For the given ligand XIE5-2-17, we have found in our database that, being scored 0.2408377, the most similar ligand is CHEMBL4175983. Check out the elaboration below.
| XIE5-2-17 (Given Ligand) | CHEMBL4175983 (Similar Ligand) |
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| Fc4ccc(COc2ccc(CNCCCN1CCOCC1)cc2OCc3ccc(F)cc3)cc4 | 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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| 04000000 44000408 20100108 82210600 00001080 00004010 02040000 02001000 00000100 00000960 00200000 40008000 00804802 00011080 01081409 02088108 10000000 02000200 00480000 00120200 00000000 18008020 12000000 00c49010 00000400 c0002000 00220000 80000001 00000300 00068018 60040000 00000200 | 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 |