On Target PA_INFA 0.2937063/CHEMBL2040554
For the given ligand DB01256, we have found in our database that, being scored 0.2937063, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB01256 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| C=C[C@]5(C)C[C@@H](OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)N2C)[C@@]3(C)[C@@H](C)CC[C@@]4(CCC(=O)[C@@H]34)[C@H](C)[C@H]5O | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00050000 81000000 00100101 80110740 00290000 00000030 00000000 20000400 04200000 001040c0 00203000 50079000 0401802a 80840000 00000414 00081008 04820000 00000100 12402000 00000201 40000020 10000a12 01000300 00300010 08008400 00000010 00000000 90003040 00000200 01040022 24020000 05012200 | 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 |