On Target ACES_HUMAN 0.57641923/CHEMBL4527101
For the given ligand test molecule, we have found in our database that, being scored 0.57641923, the most similar ligand is CHEMBL4527101. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL4527101 (Similar Ligand) |
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| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | COc1ccc(-c2nc(NC(=O)C3CCN(Cc4ccccc4C(F)(F)F)CC3)sc2-c2ccc(OC)cc2)cc1 |
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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 | 00030042 01000009 a0180988 10010610 01001000 00000408 42448580 3a3a9088 00200000 200048d3 00302a80 50039600 0c00883a 01310001 21022c03 801c000c 00020000 02006080 04002018 80a20201 04020000 1808a680 60204800 10514010 02841081 cc180800 00224200 90000664 0000433c 040e2001 20161800 04a10300 |