On Target ADA1D_HUMAN 0.464/CHEMBL1946779
For the given ligand vs-17, we have found in our database that, being scored 0.464, the most similar ligand is CHEMBL1946779. Check out the elaboration below.
| vs-17 (Given Ligand) | CHEMBL1946779 (Similar Ligand) |
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| COc3cc(C[C@@H]2CO[C@H](c1ccc(O)c(OC)c1)[C@]2(O)CO)ccc3O | COc1ccccc1OCCNCC2CCC(O2)(c3ccccc3)c4ccccc4.OC(=O)C(=O)O |
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| 00000040 4b000008 2000010a 00010300 00281051 40004000 02000000 00000000 00000900 01080848 08100000 40008000 00004002 20210000 010c0005 02089008 08800000 02000000 11482000 00020201 00000120 08000020 05000040 08400010 00000400 80002000 005a0000 00000020 00000202 00020002 40000000 02000400 | 04002000 01000008 2010010a 80210602 00081090 00004000 02000000 21000000 04000900 000808c0 08301000 4001c000 0080c002 01210000 01281009 02088008 10000000 02000000 00402000 00020201 00000120 18040a30 17000000 00500010 10000400 a0002000 00080000 50000001 00000282 0006000a 40000000 02000680 |