On Target MDR1_HUMAN 0.35789475/CHEMBL1201219
For the given ligand Methotrimeprazine, we have found in our database that, being scored 0.35789475, the most similar ligand is CHEMBL1201219. Check out the elaboration below.
| Methotrimeprazine (Given Ligand) | CHEMBL1201219 (Similar Ligand) |
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| COc3ccc2sc1ccccc1n(C[C@H](C)CN(C)C)c2c3 | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1N6CCCCC6 |
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| 00000000 43000400 20100100 08110500 00080000 00002000 00000000 20000000 04200000 020241e0 00200000 400b8000 00010006 05840000 00000000 00080008 04a00000 00000000 02c02000 00000201 40000000 10000010 010003c0 04300010 00000001 00000000 00004000 10000000 00000200 00040030 00000000 03012200 | 00000000 01000000 00100300 80010700 00080080 00000000 00000000 20000000 00000000 00000080 00200000 50018000 00008002 01800000 00081008 00081008 10860000 00000000 02402000 00000201 00000020 10000a10 13000000 00100010 00000400 00000000 00000000 10000001 00000200 01040002 00020000 00002200 |