On Target XCT_HUMAN 0.31413612/CHEMBL421
For the given ligand Celecoxib, we have found in our database that, being scored 0.31413612, the most similar ligand is CHEMBL421. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL421 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O |
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| 00006036 00802208 a1100100 00b10600 01080010 00004002 00440400 00001400 00000104 000108f0 0900a004 6000800a 00000810 02000201 80200040 000c200c 00020000 02801000 04400000 10222008 c0100000 1801a020 30800800 8b404008 00000000 c0000040 30c20000 90000869 04004104 20460008 40260200 800126a2 | 00000012 00882808 61004102 00b10200 00050012 00024000 02000000 00000800 00000300 00040840 00002104 60008000 00048c02 08000001 80280050 102e200c 0000a000 02800000 00600000 80226001 c0000000 0e229a20 20840846 0860200c 00050480 c1000000 80040080 0400004c 00500408 20060000 c0000080 00010060 |