On Target MSHR_HUMAN 0.32947975/CHEMBL4113490
For the given ligand vs-17, we have found in our database that, being scored 0.32947975, the most similar ligand is CHEMBL4113490. Check out the elaboration below.
| vs-17 (Given Ligand) | CHEMBL4113490 (Similar Ligand) |
|---|---|
| COc3cc(C[C@@H]2CO[C@H](c1ccc(O)c(OC)c1)[C@]2(O)CO)ccc3O | COc1ccc(C[C@@H](NC(=O)CCc2c[nH]cn2)C(=O)N3CC(C3)(OCCCCO)c4ccccc4C)cc1 |
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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 | 00000002 00007208 20100108 84810710 042012f0 00004000 02142020 2000000c 00400980 000808c0 28308000 5000b800 06008002 00312800 811a1009 020c100c 10000200 06000000 10400018 40020201 20000520 38200620 33004001 83400018 10041c00 80002200 009a0000 10000101 0c000205 0046000b 60004000 22002600 |