On Target TNFA_HUMAN 0.31914893/CHEMBL3640372
For the given ligand Etoricoxib, we have found in our database that, being scored 0.31914893, the most similar ligand is CHEMBL3640372. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL3640372 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc4ccc(nc4)c5cnccc5C)C(=O)c2c1 |
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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 | 00002202 45837c09 28104908 94010e10 20443020 04048018 02040084 02183028 00000900 10038970 40208004 5000b01c 8d00b802 10203000 21124401 a21c000c 00022010 02403005 04280010 90420217 c1020100 389b8680 30881001 0244881d 10041007 c0280000 08a242c0 80000040 08404304 08060411 a0144800 00002320 |