On Target MDR1_HUMAN 0.46276596/CHEMBL3612980
For the given ligand test, we have found in our database that, being scored 0.46276596, the most similar ligand is CHEMBL3612980. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3612980 (Similar Ligand) |
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| O=C(Nc1cc(Cl)ccc1O)c3cccc(S(=O)(=O)N2CCCCC2)c3 | COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NS(=O)(=O)c5ccc(cc5)C(C)(C)C)cc3)Cc2cc1OC |
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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 | 0080401a 46881808 2110090a 50b10600 00021028 80110002 02040000 02001000 00000080 00180840 08282004 6000c000 0004cc82 a0308001 812a0441 00028008 00062200 02000020 08480000 00026200 c0120000 18268e00 20056040 8944801c 00200080 c0000000 00324000 800000ac 04008700 2006000b a0040000 40012660 |