On Target MDR1_HUMAN 0.34920636/CHEMBL1642
For the given ligand Etoricoxib, we have found in our database that, being scored 0.34920636, the most similar ligand is CHEMBL1642. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL1642 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1.CS(=O)(=O)O |
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| 0002a002 00811201 00024100 10910210 00041020 04000008 01000001 00480004 00000100 10000850 0000a084 60008810 06004808 00210000 a0220000 820c0004 04020000 02003004 04200008 10402006 c0000000 08008100 31800000 08400009 00040803 80080200 08040240 00000060 0040c004 00020400 00000820 01030020 | 0001e202 00010800 80004100 44550610 09041004 04004000 00002800 02081200 00000100 00010840 00282004 6000d810 82008802 0010a002 80020440 800c0004 00060000 12006004 0c600000 10a00006 40100000 2c02a600 31812860 0240011c 000c0003 c0180000 08000600 800110e0 08c0810c 00460801 c0040800 200102a2 |