On Target NEP_HUMAN 0.312/CHEMBL81232
For the given ligand Rofecoxib, we have found in our database that, being scored 0.312, the most similar ligand is CHEMBL81232. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL81232 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | OC(=O)CNC(=O)\C(=C/c1ccccc1)\CS |
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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 0000c000 00100100 00110600 00000080 00000000 80100080 00000400 01800000 00400840 00200800 c000b000 02008002 00050002 80080002 00080008 30000400 02000100 00018000 01c00200 40000000 18000e00 02000200 00400018 00000000 80000000 00482000 40010010 00400000 40060021 24004000 01010200 |