On Target NOS1_HUMAN 0.221519/CHEMBL315966
For the given ligand Rofecoxib, we have found in our database that, being scored 0.221519, the most similar ligand is CHEMBL315966. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL315966 (Similar Ligand) |
|---|---|
| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | NC1=Nc2ccccc2[C@H]3COC[C@@H]13 |
|
|
|
|
|
|
| 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 | 00000053 00200208 00000100 00010f20 00100040 00200000 52002010 00000040 00000800 400808c3 08110004 60008000 10041000 c0080008 000e00c8 00080008 08200800 02000400 05c00008 10000001 40010121 18010100 21000040 00400810 00090400 88100001 40200600 00000800 00080200 2086100a 00080000 20100500 |