On Target ADRB2_HUMAN 0.38311687/CHEMBL446840
For the given ligand Rofecoxib, we have found in our database that, being scored 0.38311687, the most similar ligand is CHEMBL446840. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL446840 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1.OC(=O)\C=C\c3ccccc3 |
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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 | 10000050 01800008 21102102 00b10700 00081181 00014000 82000080 20000c00 01800980 000808c0 a8302000 6001c000 04008002 00a00001 80280082 00083108 10800400 02000000 0041a018 40022201 80000120 18200a30 03000000 89500018 00001400 80000000 00522000 50000008 04400200 20060002 44000000 00012620 |