On Target PA_INFA 0.25/CHEMBL2040554
For the given ligand DB00917, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB00917 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00050000 01000000 00000800 00000000 00080000 00000000 00000000 28000402 00000000 00108008 00000200 40001000 14028008 00800000 00000404 00080008 00000000 00000000 00402010 02000001 00000000 00000a00 01008000 00000010 00201000 00000400 00404200 80000000 00000000 81000000 24020000 00000000 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 28000400 01100800 001808c0 08300000 5001d800 86028026 00200000 00000400 00080008 00000000 02000000 02252018 00000201 00000100 18000b90 04008000 00500010 00003800 80002400 00444000 90000000 00004000 00060002 04020000 00822600 |