On Target AOFA_HUMAN 0.44/CHEMBL332223
For the given ligand Rofecoxib, we have found in our database that, being scored 0.44, the most similar ligand is CHEMBL332223. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL332223 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCOC(=O)C1=Cc2ccccc2CC1=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 | 10090000 01000000 00000302 00110300 200c0000 00200000 82000080 00000400 01800900 00180842 48102000 40009000 15028000 00200000 40000022 0008100a 00820400 02000000 20418018 00000001 00100120 08000a00 0100c020 00400010 01001400 80000101 00402000 c0000400 00400200 00020002 04002020 00410410 |