On Target AA2AR_HUMAN 0.54362416/CHEMBL448781
For the given ligand Etoricoxib, we have found in our database that, being scored 0.54362416, the most similar ligand is CHEMBL448781. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL448781 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | Nc1nc(cc(c2ccc(Cl)c(Cl)c2)c1C#N)c3cccnc3 |
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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 | 0000a002 00010801 80004100 10810210 01041024 04000008 04000000 00080000 00100100 10810850 00000004 60818810 82800804 00208000 a0020000 820c000c 00420080 02003004 04a00000 10682006 41000000 0c028100 30800d81 02600008 00042003 80180000 080406c0 00000061 0040400c 00060400 00000800 21020220 |