On Target OPRK_HUMAN 0.37692308/CHEMBL279298
For the given ligand Rofecoxib, we have found in our database that, being scored 0.37692308, the most similar ligand is CHEMBL279298. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL279298 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc3ccc(cc3)S(=O)(=O)C |
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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 | 00000000 00803600 00120100 04910600 00000080 00000010 00000000 20000008 00000080 000809e0 08202000 60009000 01008002 00012000 c0380000 00080008 14000000 02000000 00800000 00002201 80000000 382c0600 038000a3 8b400019 00000001 80000000 00000000 10000020 0c000000 00060013 00002000 00012620 |