On Target SC6A4_HUMAN 0.39849624/CHEMBL574543
For the given ligand Rofecoxib, we have found in our database that, being scored 0.39849624, the most similar ligand is CHEMBL574543. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL574543 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | COC(=O)[C@@H]1C2CCC(C[C@@H]1c3ccc(cc3)S(=O)(=O)C)N2C |
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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 | 00010000 01801208 00120102 00910700 00080000 00000010 00000000 20000000 00000800 000808c0 08302000 70019000 0c00801a 01a10000 80200000 000c0008 04a20000 02000000 00c02018 00002201 80000100 18040a10 018000c0 08500019 00001801 80000000 00000000 10001020 00000202 0006000a 00020000 00012620 |