On Target AMPN_HUMAN 0.25581396/CHEMBL1782887
For the given ligand Rofecoxib, we have found in our database that, being scored 0.25581396, the most similar ligand is CHEMBL1782887. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL1782887 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | N[C@H]1CC\C=C\CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc3ccccc3CC(=O)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 | 00010008 01803408 20900902 14010600 00000040 00000000 02000000 2200140e 10100880 001989e0 08300000 4001b000 0f028882 00202000 c0040480 00080008 08004000 02000001 00010010 00020201 80020100 382c8e00 0100c001 83500018 00201000 c0000100 00524000 90000000 0c000100 00060813 24046000 00402600 |