On Target CASP1_HUMAN 0.45859873/CHEMBL115823
For the given ligand dd106, we have found in our database that, being scored 0.45859873, the most similar ligand is CHEMBL115823. Check out the elaboration below.
| dd106 (Given Ligand) | CHEMBL115823 (Similar Ligand) |
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| C[NH+](C)CCCOc2c(Br)cc(/C=C/C(=O)NCCCOc1c(Br)cc(CC[NH+](C)C)cc1Br)cc2Br | CC(C)[C@H](NC\C=C\c1ccccc1)C(=O)N2CC(O)C[C@H]2C(=O)NC(CC(=O)O)C(=O)COc3ccccc3 |
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| 04004000 10009008 20100508 01010600 00001000 02000000 82140080 08000400 41800000 00480840 18200000 c0008000 00808012 00010001 01000003 00082008 20200400 02000100 00818000 00824200 00000000 18300600 01000081 91400018 00000001 80000000 005a2000 40010000 05400200 00060803 04000008 0a000640 | 04050000 0100f008 20100108 04010700 00181080 02000010 82100080 20000408 00000000 004008c0 00240800 4001f000 0e808032 02012003 91180003 00082008 30a00400 82000101 00c00010 00821201 00000000 38140e20 03000083 02500018 00001001 80000000 00482008 50010000 08400202 00060001 24004000 02002a40 |