On Target BACE1_HUMAN 0.354717/CHEMBL3910708
For the given ligand 7mi, we have found in our database that, being scored 0.354717, the most similar ligand is CHEMBL3910708. Check out the elaboration below.
| 7mi (Given Ligand) | CHEMBL3910708 (Similar Ligand) |
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| CCC4CN3CCC2(O)/C(=N\c1cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(Br)cc3C24NC(=O)N(C(C)c5cccnn5)C4=O |
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| 00010002 81000208 2010410a 10010f20 10081000 00204000 13000050 20027e02 11080940 003808c1 0a330004 70019040 9400901a 49a00000 03020cc1 000c2108 02824800 02000030 10c42038 00620601 c0000101 18010a30 e1201880 20500c18 00090801 c8100000 40001400 90000800 00085302 0006c00a 640ac001 24102610 | 00014008 3180f208 20500102 14010f00 01080020 00000002 00000004 2200760f 40100880 003d08c0 09318020 e091b000 0500989a 01a03000 400005a0 000e200c 00a04208 02002404 02602040 00221241 80020100 3c278610 01804800 83500118 00110020 c0000101 00120000 90000000 0d800306 0086000b 240e6008 88400600 |