On Target PDE4B_HUMAN 0.5952381/CHEMBL197386
For the given ligand Rofecoxib, we have found in our database that, being scored 0.5952381, the most similar ligand is CHEMBL197386. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL197386 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CC(C)c1cc(c2cccc(\C=C(\C(=O)O)/c3ccc(cc3)S(=O)(=O)C)c2)c4ncccc4c1 |
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| 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 | 00002002 00805200 00024100 00910210 00041041 04000008 80000080 00000400 01800000 00080840 08002104 60009000 05008800 00410000 c0240042 800c000c 0c020400 02001004 44218018 00082000 c0000000 18048a08 31880000 88400019 00041001 80080080 08402200 40000061 00404000 00220002 04042000 00010420 |