On Target COMT_HUMAN 0.36220473/CHEMBL4435468
For the given ligand test molecule, we have found in our database that, being scored 0.36220473, the most similar ligand is CHEMBL4435468. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL4435468 (Similar Ligand) |
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| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | N#C/C(C(=O)Nc1nccs1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1 |
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| 10034043 01000019 2018098c 00010610 81000000 10024508 4040c580 18129409 00000900 a0000873 48302a04 50008600 08008008 00210001 21022803 801c200c 00820000 0200408c 04400010 c0a60000 84020001 08082e80 60a00c40 10414828 02041081 cc082980 00220a00 b0000744 0000430c 044e2001 c4005000 8c210380 | 0003000a c8008018 20184104 00410623 00000004 00084400 8200a180 1032cc08 15802100 20400862 04300a04 50129400 88018202 00010000 20102142 000cc01c 20400c00 02004180 00058010 80a20602 40020000 180016a0 70000c01 00411410 00040000 cc018000 00422100 4001a404 00484018 000e2101 44001000 0c018380 |