On Target PA_INFA 0.29032257/CHEMBL2040554
For the given ligand DB00838, we have found in our database that, being scored 0.29032257, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB00838 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| C[C@H]4C[C@H]3[C@H]2C[C@@H](F)/C1=C/C(=O)/C=C\[C@@]1(C)[C@]2(Cl)[C@@H](O)C[C@]3(C)[C@H]4C(=O)CO | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 000b0002 81000000 00100000 00080000 00981400 00000000 00000080 02000402 01000000 00100000 00000401 40005000 04028028 00800000 00000400 08080008 00000000 00002000 02412000 00022001 00000001 80000380 01008000 00100810 00200000 08000020 00404020 b0000008 00800000 03000000 24020000 00820a00 | 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 |