On Target DRD3_HUMAN 0.3888889/CHEMBL2368629
For the given ligand Rofecoxib, we have found in our database that, being scored 0.3888889, the most similar ligand is CHEMBL2368629. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL2368629 (Similar Ligand) |
|---|---|
| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | Cl.CS(=O)(=O)c1ccc2CCN(CC[C@@H]3CC[C@H](CC3)NC(=O)\C=C\c4ccc(F)cc4)CCc2c1 |
|
|
|
|
|
|
| 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 01809200 00122100 02910600 00000120 00010010 80100080 20000401 01800080 004808c0 08202000 60818000 00008002 00211000 80280082 00000000 24000600 02100100 0201a000 00902201 88000000 18240610 00804020 89500019 00000000 80000000 00482000 50010021 04400000 00068003 04020000 02032621 |