On Target NK1R_HUMAN 0.5/CHEMBL423254
For the given ligand pmi, we have found in our database that, being scored 0.5, the most similar ligand is CHEMBL423254. Check out the elaboration below.
| pmi (Given Ligand) | CHEMBL423254 (Similar Ligand) |
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| CCC4CN3CCC2(Nc1cccc(OC)c1C2=O)C3CC4/C(=C\OC)C(=O)OC | COc1ccccc1CN(CC(CC2CNc3ccccc23)NC(=O)CN4CCN(CC4)c5ccccc5)C(=O)C |
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| 10034002 81000e08 2010012a 14010700 20081000 00032050 03000000 20001600 11900800 00380be0 08300004 5001b0c0 8c00801a 09a02000 03020541 000c200a 90a64080 02000000 08452018 00022601 60100100 38220a10 21000001 83500417 00001000 c0000080 00001800 90001080 0c00c302 0006c01a a402d000 20822610 | 00004002 01803208 2010012a 04010600 20001000 00002100 03000000 22001408 00300800 00190ac0 08300004 4003a000 02008802 00202001 01020741 00042008 00048000 02000000 08000008 00020201 c0100100 38248620 20000023 8350001b 00000000 c0000000 00000000 90001080 0c008300 0006000b 24044080 20000600 |