On Target COMT_HUMAN 0.26/CHEMBL3425731
For the given ligand MIe-421, we have found in our database that, being scored 0.26, the most similar ligand is CHEMBL3425731. Check out the elaboration below.
| MIe-421 (Given Ligand) | CHEMBL3425731 (Similar Ligand) |
|---|---|
| NC(=O)C3Oc1ccccc1C2CC23 | CCCCc1ccc(cc1)N2C=C(O)C(=O)C=C2CO |
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| 04010000 01000018 6000010a 00010702 00081000 82000000 02000000 00000200 00110800 000808c0 08140000 4001d040 0480800a 01200000 11001001 00082008 00800000 a2028000 00402000 00020001 00000100 18040610 03000040 00400410 00000000 c0000000 00000008 00000000 00000302 00064002 00000000 00400400 | 00000002 01000a08 60004102 50010600 00040028 00004004 04800000 00201000 02100b00 800808c0 08100004 40018000 80008804 00600200 00020040 020c000c 00008000 02804004 00200000 00060001 40000100 18008030 20800002 81500014 02002400 c0000040 00420060 00040000 04000004 0806000a c0040000 40200400 |