On Target HYES_HUMAN 0.45/CHEMBL4071682
For the given ligand Rofecoxib, we have found in our database that, being scored 0.45, the most similar ligand is CHEMBL4071682. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL4071682 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | COc1ccc(\C=C\C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1O |
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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 | 00040000 42000808 20000109 00010200 00001041 00000000 82040080 00000440 01800000 00080840 48000000 4010c080 0400c002 00000000 01040003 20088008 08020400 82000000 24018018 00020200 00010020 08020a00 01000001 00400014 00001400 80000000 00522000 40000400 00400200 00020102 84000000 02000410 |