On Target GASR_HUMAN 0.5/CHEMBL331929
For the given ligand fentanyl, we have found in our database that, being scored 0.5, the most similar ligand is CHEMBL331929. Check out the elaboration below.
| fentanyl (Given Ligand) | CHEMBL331929 (Similar Ligand) |
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| CCC(=O)N(c1ccccc1)C3CCN(CCc2ccccc2)CC3 | O=C(NC1C(=O)N(CCc2ccccc2)c3ccccc3N(C1=O)c4ccccc4)Nc5ccccc5 |
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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 | 00014006 00003400 00100121 04010e00 20000000 00000000 00000014 0030200d 00002180 000a0b60 08282004 5000b000 0c00a002 00102000 00060040 00000000 00040010 12404000 08000012 10000200 60100100 38210600 20022001 8340001b 00101000 80000000 02000020 00008080 0c008000 02060013 20005000 00006600 |