On Target MK01_HUMAN 0.39545456/CHEMBL4108598
For the given ligand Celecoxib, we have found in our database that, being scored 0.39545456, the most similar ligand is CHEMBL4108598. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL4108598 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | Cn1nccc1c2cnc(N)c(c2)c3ccc(C(=O)N[C@H](CO)c4cccc(c4)S(=O)(=O)C)c(F)c3 |
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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 | 0000608e 00804a08 a0126180 42910610 210c11c0 0401001a 10440000 02081000 07800100 000828c0 0821a005 70008000 80c08852 00001000 80260481 800c200c 1e022200 06003004 04610000 10222006 c8100000 1c038600 33880820 2a60c01d 00040003 c0180000 18020280 80000061 0040410c 00068003 80040a00 00010622 |