On Target MDR1_HUMAN 0.6052632/CHEMBL2398181
For the given ligand mescaline, we have found in our database that, being scored 0.6052632, the most similar ligand is CHEMBL2398181. Check out the elaboration below.
| mescaline (Given Ligand) | CHEMBL2398181 (Similar Ligand) |
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| COc1cc(CCN)cc(OC)c1OC | COc1ccc(CCNCCC[C@](C)(O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)cc1OC |
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| 00000001 42000008 20000108 00010600 00001000 80000000 42040000 00000000 00000000 00080840 08000000 40008000 00004002 20000000 01000001 00008008 00000000 02000004 00080000 00020a00 00000000 18000000 00000000 81400010 00000000 80000000 00120000 00000000 04000200 0006000a 00000000 00000400 | 00000000 43000008 20100108 00010600 00381000 80000000 02040000 20000000 00000080 000808c0 08200000 40018000 00004002 20800000 01000001 00088008 00000000 02000000 02482000 00020201 00000000 18200010 01000000 81500010 00000000 80000000 00120000 10000000 04000200 0106000a 00020000 00002e00 |