On Target AA1R_HUMAN 0.25862068/CHEMBL16997
For the given ligand Rofecoxib, we have found in our database that, being scored 0.25862068, the most similar ligand is CHEMBL16997. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL16997 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(\C=C\C(=O)O)cc3 |
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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 | 0000802a 00801800 00180100 12010700 00080060 0000c040 80009280 00080400 17c00100 900018e0 0c00800c 40018800 06009000 00d01000 002a0082 080c100c 00800400 0200a000 00418018 00400000 81000100 38000a50 21802041 00700014 00041000 c0200000 60402000 40040000 00404005 00460c00 c4080800 40000288 |