On Target CNR2_HUMAN 0.33112583/CHEMBL3410820
For the given ligand Rofecoxib, we have found in our database that, being scored 0.33112583, the most similar ligand is CHEMBL3410820. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL3410820 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCCCCSc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1OC |
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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 01909208 20160108 00110600 00001008 00010000 82140080 00000404 05800088 00484840 08600000 60028040 00018002 01050000 03000083 00000008 24000401 02000100 0001c000 02820201 80000000 18200600 00800121 81600019 0000a000 80000000 005a2000 40010000 04400200 00060003 14000000 03010624 |