On Target TNFA_HUMAN 0.3272727/CHEMBL6056844
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.3272727, the most similar ligand is CHEMBL6056844. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL6056844 (Similar Ligand) |
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| O=C(O)/C2=C/O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3/C(CO)=C\C[C@H]23 | CN(C)C(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)cc1 |
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| 00010040 81000000 00000801 80010101 80290041 00000001 00022880 08001402 01200000 015080e8 08000200 40419010 8402802a 02800000 02000404 012a9008 00800004 00000000 1145e010 00008a01 00100020 00001a90 0500a000 08100010 00201420 80200400 00405002 a4000020 00004240 00000000 0ea0a000 00000000 | 00054042 81400000 00104120 000d1700 203c1450 00204004 00000880 0a001402 01200100 01180a60 08280004 4000f800 95028828 02d12000 40020440 0a2c100c 00860000 82000100 1b61a000 00022001 40100021 38208ea8 2580a000 89520817 00200400 80002002 004840a0 b40000a0 0c008302 0306000b 64a66000 02000600 |