On Target CAH2_HUMAN 0.5/CHEMBL419006
For the given ligand Rofecoxib, we have found in our database that, being scored 0.5, the most similar ligand is CHEMBL419006. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL419006 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCCC(CCC)C(=O)OCCc1ccc(cc1)S(=O)(=O)N |
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| 00000040 00801200 00020100 00910200 00100040 00000000 80000080 00000440 01800000 00080840 48002100 60009000 05008000 00010000 c0240002 00080008 0c020410 02000000 44018018 00002000 80010020 18040a00 01800000 08400019 00001400 80000000 00402000 40000420 00400200 00020002 04002000 00810430 | 00010050 01801000 01000100 00b10300 00080048 00000000 00000000 00000040 00000000 00080840 08002000 60009000 04008000 00000001 80240000 00081008 08820000 02000000 04402000 00002001 80010020 08040a00 01000000 08400018 00000400 80000000 00000000 00000028 00000200 20020002 00020000 00010420 |