On Target ACES_HUMAN 0.33613446/CHEMBL52347
For the given ligand Rofecoxib, we have found in our database that, being scored 0.33613446, the most similar ligand is CHEMBL52347. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL52347 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | O=C1C=Cc2ccccc2C1=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 | 10080000 00000800 00000300 00110200 20000000 00008000 800000c0 00000400 05800840 00180842 08102000 40009000 01028000 00200000 40000002 00000000 00000400 02000000 00058000 00000001 00100500 08020200 0000c020 00400014 01000000 80000101 00403000 c0000000 00400000 00020002 84002020 00010400 |