On Target CXCR4_HUMAN 0.264574/CHEMBL3627862
For the given ligand Etoricoxib, we have found in our database that, being scored 0.264574, the most similar ligand is CHEMBL3627862. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL3627862 (Similar Ligand) |
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| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c2ccc(Cl)cc2)[C@H]3CCCc4cccnc34 |
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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 | 0000809a 01804600 01104102 15b00e10 000c1120 10100000 01022000 22003001 00700800 004909e0 0831a004 60838800 02000886 00202801 80a20400 02048104 00002200 06000006 00602408 00007603 c0120100 38038100 20804023 3a500038 02142000 c000000d 18004040 9000008c 08400506 20860012 20040002 20036660 |