On Target PDE5A_HUMAN 0.22674419/CHEMBL554051
For the given ligand Rofecoxib, we have found in our database that, being scored 0.22674419, the most similar ligand is CHEMBL554051. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL554051 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | Cl.Cl.CS(=O)(=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)n4ccnc4 |
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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 | 00014002 00802201 00021100 08990600 420400c8 00004000 0080a000 02001a08 00000100 00000840 0122a00c 6001d000 04001801 00400100 80600040 000c0004 04048000 02804000 08600000 00202801 c0100020 1c048028 218148c0 0860001d 00100000 80000080 08000000 808000c0 00008108 00460000 40041000 000342e0 |