On Target TRY1_HUMAN 0.3152174/CHEMBL99629
For the given ligand Rofecoxib, we have found in our database that, being scored 0.3152174, the most similar ligand is CHEMBL99629. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL99629 (Similar Ligand) |
|---|---|
| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | C\C(=C\1/CC(=O)N(C1=O)c2ccc(cc2)c3ccccc3S(=O)(=O)N)\c4cccc(c4)C(=N)N |
|
|
|
|
|
|
| 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 | 00026212 08809801 03100300 00b10600 20000001 00002010 801800c0 00001400 01800148 005808c3 08282004 60009008 04008802 00118001 80320046 00480008 20060480 02000140 4c418400 00802001 c0120400 18028600 3100a000 08400018 01002004 80000080 48482000 500101c8 0040c00a 20260c43 4c045000 00810620 |