On Target CASP1_HUMAN 0.34013605/CHEMBL248309
For the given ligand 7mi, we have found in our database that, being scored 0.34013605, the most similar ligand is CHEMBL248309. Check out the elaboration below.
| 7mi (Given Ligand) | CHEMBL248309 (Similar Ligand) |
|---|---|
| CCC4CN3CCC2(O)/C(=N\c1cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | CCC(N1C=C(N=C(Nc2ccc3OCCOc3c2)C1=O)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CCCc4ccccc4 |
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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 | 0405002a 81011408 2010150a 51a10638 01081044 0c002100 1200a214 20000008 16602901 800c18e0 0838800c 4001b010 0e80c02a 09e00001 81a209c1 080c800c 08040000 d2005001 08c02412 10a22603 c0000180 7854ae10 25000881 0a70041e 04041003 c0000000 08040400 1081008c 08008e0e 0046181b 600a4000 2042268a |