On Target MK03_HUMAN 0.24/CHEMBL555017
For the given ligand Rofecoxib, we have found in our database that, being scored 0.24, the most similar ligand is CHEMBL555017. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL555017 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CC(=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)/C(=O)O)OC6(C)C)C |
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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 | 04050041 81000838 22800b0b 80210302 00281041 82a20800 c22402c1 28000642 05042854 019a0a48 48140200 4000d060 1682802a 00a00000 11280407 0808b008 00800400 a2108124 1361201e 0202a801 00040120 18021a80 0500a061 0a400014 01201400 c0000400 00526a08 c0800420 00414302 80234002 a4020000 00000410 |