On Target NA_INFB 0.12444445/CHEMBL318452
For the given ligand XIE5-2-25, we have found in our database that, being scored 0.12444445, the most similar ligand is CHEMBL318452. Check out the elaboration below.
| XIE5-2-25 (Given Ligand) | CHEMBL318452 (Similar Ligand) |
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| N=C(N)N/N=C/c3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3 | CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O |
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| 04008008 40000008 20000108 00210a00 00003000 00004000 02040000 81084000 00000100 00000843 00000000 40008800 82804086 00010080 01000001 02088008 00000000 02000000 00480400 00020200 00080000 08000120 40040002 08c01000 00002000 80002800 40060100 00000000 00000228 000e0208 40100800 00020000 | 00030008 89007600 00100141 90010f01 00008083 00000200 000b0180 38800c04 01200080 00188dea 88200010 4003d200 8c028002 00880008 02081408 38099008 30200804 82000141 40c14010 00082201 00004020 382a0f80 1f008000 8b50001c 00001480 80000c00 40c14000 90100129 0c004200 00068413 0c040000 00806600 |