On Target BACE1_HUMAN 0.37931034/CHEMBL3677230
For the given ligand Rofecoxib, we have found in our database that, being scored 0.37931034, the most similar ligand is CHEMBL3677230. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL3677230 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CSc1ccccc1\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2 |
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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 01800208 20020300 00110200 00000000 08000020 82000080 00000400 01800180 00100840 00004000 60009000 04028002 00000001 00000402 00000008 04000400 02000000 00018000 02020001 80000000 08000200 00808021 00400019 01002000 84000000 00426200 c0000000 00400000 80020000 04000000 00010020 |