On Target COMT_HUMAN 0.32034633/CHEMBL3425739
For the given ligand 94, we have found in our database that, being scored 0.32034633, the most similar ligand is CHEMBL3425739. Check out the elaboration below.
| 94 (Given Ligand) | CHEMBL3425739 (Similar Ligand) |
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| COc1ccccc1NC(=O)CSc3nnc(Cc2cccn2C)n3CCc4ccccc4 | OC(C1=CC(=O)C(=CN1c2cccc(c2)c3ccccc3)O)c4ccccc4 |
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| 0000400e 00304308 70100928 10118e02 810b1020 00080004 06800100 2c003200 00060510 125c4cc0 0928810c 42818900 00008006 00140000 01020441 000c640c 04048000 02000007 88600000 00260a41 40300000 1e818600 21b02000 81488410 22000000 c0000201 20204040 d00100c0 04208204 0006004b a6000280 22210654 | 0000200a 00000a08 60004100 10010610 00041028 04084004 14800000 01201000 02100300 800808c0 08008004 40818000 00008804 00400200 00020440 020c008c 00028000 02804005 04200000 00060000 40000000 18008030 30800002 a1500414 02042400 e0080040 08520260 40050040 04404084 0a06000a c0040000 60280400 |