On Target MDR1_HUMAN 0.47924528/CHEMBL445022
For the given ligand pmi, we have found in our database that, being scored 0.47924528, the most similar ligand is CHEMBL445022. Check out the elaboration below.
| pmi (Given Ligand) | CHEMBL445022 (Similar Ligand) |
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| CCC4CN3CCC2(Nc1cccc(OC)c1C2=O)C3CC4/C(=C\OC)C(=O)OC | CC[C@H]1C[C@@H]2CN3CCC4C(Nc5cc([C@H]6C[C@H]7C(C/C/7=C/C)[C@@H](C(Cc8c6[nH]c9ccccc89)NC)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC |
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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 | 0801400a 43004e08 6010010a 71810710 200c1120 c0082042 03002400 21001609 00700900 001989f8 08308004 50839840 1c02883a 21e08810 01021561 020c208e 00a68201 06000005 0af92418 80020201 64100100 18208a38 2180c088 93500411 00043001 e0002001 08444000 d0001080 06488386 0086401a 26060280 20402620 |