On Target BACE1_HUMAN 0.38515902/CHEMBL2181893
For the given ligand test molecule, we have found in our database that, being scored 0.38515902, the most similar ligand is CHEMBL2181893. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL2181893 (Similar Ligand) |
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| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | COCC(=O)N[C@@H](Cc1cccc(-c2cncs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 |
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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 | 1402004a 0100d418 2010410b 00810f10 80041181 82018108 14046080 2a10d60c 00510a80 001809e1 09350a04 5001c240 00808802 00210810 31283503 801c200c 10220000 a2009084 04e02410 800a0201 40020150 18288e90 33a000c0 91510018 02040001 cc080080 08120200 90802245 0440430a 00064013 a4020000 84012640 |