On Target AA3R_HUMAN 0.40163934/CHEMBL513389
For the given ligand vs-17, we have found in our database that, being scored 0.40163934, the most similar ligand is CHEMBL513389. Check out the elaboration below.
| vs-17 (Given Ligand) | CHEMBL513389 (Similar Ligand) |
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| COc3cc(C[C@@H]2CO[C@H](c1ccc(O)c(OC)c1)[C@]2(O)CO)ccc3O | CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12 |
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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 | 04000000 43000008 2010010a 00010700 00001081 c2000000 02040000 00000200 00000810 00080840 08300000 40008040 00800002 20201080 11200021 000a2008 10200000 22008000 00c80000 00020201 00000100 18000000 07004080 08400410 00000001 c0000001 00020000 00800000 00000300 00064002 00000000 00000640 |