On Target NK1R_HUMAN 0.5462963/CHEMBL140101
For the given ligand vs-17, we have found in our database that, being scored 0.5462963, the most similar ligand is CHEMBL140101. Check out the elaboration below.
| vs-17 (Given Ligand) | CHEMBL140101 (Similar Ligand) |
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| COc3cc(C[C@@H]2CO[C@H](c1ccc(O)c(OC)c1)[C@]2(O)CO)ccc3O | COc1cc(COCC2(CCNCC2)c3ccccc3)cc(OC)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 | 00000001 49000208 20100108 00010700 00101050 00004000 42000000 20000040 00000900 000808c8 08300000 50018000 00000002 00010000 01040005 020c1008 08000000 02000004 04480000 00020a01 00010120 18000020 01000000 00400010 00000400 80002000 00080200 10000000 00000200 0006000a 40000000 02000e00 |