On Target TLR4_HUMAN 0.33783785/CHEMBL4071705
For the given ligand Rofecoxib, we have found in our database that, being scored 0.33783785, the most similar ligand is CHEMBL4071705. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL4071705 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | C[C@@H](OC(=O)c1ccccc1O)[C@]2(O)CC[C@]3(O)[C@]4(O)CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](OC(=O)\C=C\c6ccccc6)[C@]23C |
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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 81000808 a0000d00 00010300 00280050 00024000 82000080 00000c02 01800100 01100848 40000200 40008000 04028002 02810000 00000406 02083008 00820c00 02000020 3341a018 00022001 00000020 28020a20 05008000 08400014 00201400 80002000 00486000 c0000420 00400200 0102000a e4020000 02000010 |