On Target AA2AR_HUMAN 0.3644068/CHEMBL2042091
For the given ligand Rofecoxib, we have found in our database that, being scored 0.3644068, the most similar ligand is CHEMBL2042091. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL2042091 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | COC(=O)\C(=C\c1cccc(OC)c1O)\C#N |
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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 40000008 20000108 00010220 00201000 00080000 82000080 00000400 01808000 00000840 40000000 40129000 0c00c002 00000000 01000003 0008a008 00420400 02000000 10098018 00020200 00000000 08000a00 01000400 00400010 00001000 80000000 00402100 40000400 00480200 00020100 04000000 00000192 |