On Target AA2AR_HUMAN 0.3195266/CHEMBL3317576
For the given ligand vs-17, we have found in our database that, being scored 0.3195266, the most similar ligand is CHEMBL3317576. Check out the elaboration below.
| vs-17 (Given Ligand) | CHEMBL3317576 (Similar Ligand) |
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| COc3cc(C[C@@H]2CO[C@H](c1ccc(O)c(OC)c1)[C@]2(O)CO)ccc3O | COc1cccc(CCCc2nc(N)c3nn(cc3n2)c4ccccc4)c1 |
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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 | 0000000e c3800208 2008150a 18090620 01081060 4000c000 07009010 00001800 10100900 000d18c0 09108004 40819000 00000802 20a00000 010200c1 020c000c 10000000 06000008 01680008 00260601 c0000100 18018060 25800840 83400010 00100000 80000000 08010000 00000880 0400020c 00c6080a 40040000 a02405e0 |