On Target NK1R_HUMAN 0.46560848/CHEMBL21122
For the given ligand Etoricoxib, we have found in our database that, being scored 0.46560848, the most similar ligand is CHEMBL21122. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL21122 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | Cc1ccc(cn1)c2c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c5cc(Cl)ccc5n2C |
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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 | 0000e002 01011a01 00104102 50810610 00065260 04000008 05002001 20080000 00500900 100808d0 08308004 50019810 0e00882e 00608800 20060041 8a0c000c 08020000 82803004 04a00408 10400207 40100100 18148718 31804080 8050001c 00847803 c0180001 48040240 10000040 0040c004 0006044b 00040a20 00022620 |