On Target PA_INFA 0.23021583/CHEMBL2040554
For the given ligand DB01222, we have found in our database that, being scored 0.23021583, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB01222 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| CCC[C@H]5O[C@H]4C[C@H]3[C@@H]2CC/C1=C/C(=O)/C=C\[C@]1(C)[C@H]2[C@H](O)C[C@]3(C)[C@]4(C(=O)CO)O5 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00010042 81000000 00000000 00090100 003c0040 00200004 00000880 0a000402 01200000 01100020 00000000 4000d000 14028028 02800000 00000400 08289008 00800000 80000000 1341a000 00022001 00000021 00000280 05008000 08000814 00200400 00000000 00404000 a4000020 00000200 01000000 24a20000 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 |