On Target AGTR2_HUMAN 0.2647059/CHEMBL217673
For the given ligand Rofecoxib, we have found in our database that, being scored 0.2647059, the most similar ligand is CHEMBL217673. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL217673 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1c2ccc(Cn3ccnc3)cc2 |
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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 | 00002012 00c01201 01000100 04b10700 00080049 00000020 00000000 80001000 00000908 000828c0 0810a009 60008000 80089808 00010101 88300080 001c000c 02022080 02001000 04400000 10006001 80000100 18048c00 31200040 89480018 0000a004 80000082 80080000 0000006f 04004600 2046004a 400c5000 00010660 |