On Target IKKB_HUMAN 0.38709676/CHEMBL3114503
For the given ligand Rofecoxib, we have found in our database that, being scored 0.38709676, the most similar ligand is CHEMBL3114503. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL3114503 (Similar Ligand) |
|---|---|
| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CC(=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O)C |
|
|
|
|
|
|
| 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 | 00050000 81000000 00000100 80010300 000c0040 00200000 82000080 00000402 01800000 01100840 40000000 40009000 14028008 00800000 00000402 00081008 00820400 02000020 2341a018 02002001 00000020 08000a00 01008000 00400010 00201400 80000000 0040e000 c0000400 00400200 8002000a 24020000 00000010 |