On Target ACES_HUMAN 0.39263803/CHEMBL3582228
For the given ligand Etoricoxib, we have found in our database that, being scored 0.39263803, the most similar ligand is CHEMBL3582228. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL3582228 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | C(N1CCCCC1)c2ccc(cc2)c3cnc4[nH]c5cnc(cc5c4c3)c6cccnc6 |
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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 | 0000200a 01010000 00104100 10010610 000c1060 0400c008 00008000 22081000 10400100 100008c0 01200004 50018010 80000802 00c00000 00060440 820c0004 08020000 02003004 04200000 50400207 40000000 38008028 31800000 80500010 00040003 c0080000 08008240 90000040 00414104 00460c00 60040a00 00000680 |