On Target GLRA3_HUMAN 0.19396552/CHEMBL4070615
For the given ligand Rofecoxib, we have found in our database that, being scored 0.19396552, the most similar ligand is CHEMBL4070615. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL4070615 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4OCOc4c3)c5cnccc5N(C)C2=O |
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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 | 00020052 23804608 2110410a 01b00610 200c1700 00042050 0301a000 20040000 00600880 004909e0 40382034 60039000 0c00c803 10300801 81e20201 0024800e 000ce004 02000004 00680c18 00027e03 e0140300 18248600 20804000 99410018 42041800 0108000c 08828010 3000108c 05480600 20060a1b 00000080 20812670 |