On Target PA_INFA 0.46153846/CHEMBL3600948
For the given ligand XIE5-2-25, we have found in our database that, being scored 0.46153846, the most similar ligand is CHEMBL3600948. Check out the elaboration below.
| XIE5-2-25 (Given Ligand) | CHEMBL3600948 (Similar Ligand) |
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| N=C(N)N/N=C/c3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3 | Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O |
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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 | 0000a00b 40000008 20000100 00030200 00404000 04000000 02000000 01004000 00000100 00000841 00000004 40008800 82000006 00000000 00010040 0008e008 00000000 12000000 00000400 00220a00 40080000 0c000100 70040802 00600000 00002000 80000800 400a0000 00000000 00000008 000e0200 40000000 04020000 |