On Target CASP1_HUMAN 0.3034483/CHEMBL1222686
For the given ligand Rofecoxib, we have found in our database that, being scored 0.3034483, the most similar ligand is CHEMBL1222686. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL1222686 (Similar Ligand) |
|---|---|
| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc2cccc3ccccc23 |
|
|
|
|
|
|
| 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 | 01050040 01401000 00100100 00010700 00080040 0000c000 00000000 00000040 00000300 00080840 08200000 4000f000 0d008020 02090000 40040000 0a1a1008 08a20000 82080401 04c00890 00000001 00010020 18100f38 01000080 0040001c 00004400 80002002 00000000 00200000 00000202 00060007 e0006000 02000600 |