On Target ACE_HUMAN 0.29081634/CHEMBL191
For the given ligand Etoricoxib, we have found in our database that, being scored 0.29081634, the most similar ligand is CHEMBL191. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL191 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4 |
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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 | 0001a00a 05801219 40501500 10010610 00080040 08028008 01000004 00081100 80400300 100418d0 00008008 42009800 86001888 00300002 a0030080 080c200c 00028000 07000800 04480008 50010001 80061100 18008100 31008040 81404414 00041000 c0200300 10040000 000010c0 04004004 00c60808 c00c2284 28020402 |