On Target CASP1_HUMAN 0.5483871/CHEMBL3133256
For the given ligand test, we have found in our database that, being scored 0.5483871, the most similar ligand is CHEMBL3133256. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3133256 (Similar Ligand) |
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| O=C(Nc1cc(Cl)ccc1O)c3cccc(S(=O)(=O)N2CCCCC2)c3 | FC[C@@H]1CCCN1S(=O)(=O)c2ccc3N(Cc4ccccc4I)C(=O)C(=O)c3c2 |
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| 0000c012 01800809 21104100 01b10600 00080120 00010000 0a000000 02001000 01000000 004008c0 00282004 7001c800 02008806 00100001 806000c0 00004108 00042000 06000000 08410000 00026601 c0100000 18028700 20012000 1840801c 02002000 80000004 20100040 9000108c 00008500 20060001 80040000 40030270 | 1000c012 01a02801 21182100 01b10600 20080930 00018050 00000000 02081008 04800280 804808c0 08282004 6001f000 03008842 02500081 c06205c0 00000100 0004a000 02000000 08400100 00006601 c0110440 18228600 20012000 9974009d 02000000 c0000284 00000030 900010cc 0408a500 22060043 a0247000 60010671 |