On Target PA_INFA 0.31666666/CHEMBL3600948
For the given ligand XIE5-2-9, we have found in our database that, being scored 0.31666666, the most similar ligand is CHEMBL3600948. Check out the elaboration below.
| XIE5-2-9 (Given Ligand) | CHEMBL3600948 (Similar Ligand) |
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| CCN(CC)c4ccc(CNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3)cc4 | Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O |
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| 0400c002 44000808 20000108 80210600 00001000 00004000 02040000 02001000 00000100 00000840 00200004 40008800 02804886 00018080 01000441 02088008 00042000 02000000 08480000 00020200 40100000 08008120 20000000 00c49000 00002000 c0002000 00260000 80000080 00008300 00060008 40040000 00020200 | 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 |