On Target MDR1_HUMAN 0.509434/CHEMBL3601682
For the given ligand dd106, we have found in our database that, being scored 0.509434, the most similar ligand is CHEMBL3601682. Check out the elaboration below.
| dd106 (Given Ligand) | CHEMBL3601682 (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 | COc1ccc(cc1OC)C2=C(C(=O)N(C(=O)c3cc(Br)c(OC)cc3OC)C2=O)c4ccc(OC)c(OC)c4 |
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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 | 00004001 62809808 20100109 00010600 00001000 88020100 c2140080 02001404 41800080 00580840 08200100 c0109000 0100c812 20010001 41000703 0000a008 20000400 02000104 00298000 00824a00 80020000 18228700 00008001 8140001c 00000000 c8000000 007a2a00 c0010100 04400300 0006210b ac042008 08002700 |