On Target MDR1_HUMAN 0.46341464/CHEMBL2398178
For the given ligand Fentanyl, we have found in our database that, being scored 0.46341464, the most similar ligand is CHEMBL2398178. Check out the elaboration below.
| Fentanyl (Given Ligand) | CHEMBL2398178 (Similar Ligand) |
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| CCC(=O)N(c1ccccc1)C3CCN(CCc2ccccc2)CC3 | CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCc3ccccc3)CC[C@]21C |
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| 00004002 01001400 00100100 00010600 20000000 00000000 00000000 20000000 00000080 000809e0 08280004 50019000 00008002 00100000 00020040 00000000 00040000 02000000 08000000 00000201 60100000 18280600 20002000 81500018 00000000 80000000 00000000 10000080 04008000 00060013 00000000 00002600 | 00000000 01000000 00100100 00010600 00380000 00000000 00000000 20000000 00000080 000808c0 08200000 40018000 00000002 00800000 00000000 00080008 00000000 02000000 02402000 00000201 00000000 18200010 01000000 81500010 00000000 80000000 00000000 10000000 04000000 01060002 00020000 00002e00 |