On Target PA_INFA 0.42727274/CHEMBL2040554
For the given ligand DB00984, we have found in our database that, being scored 0.42727274, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB00984 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| C[C@@]34CC[C@H]2[C@H]1CCC(=O)/C=C1/CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)CCc5ccccc5 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00010040 01000008 00000100 00010300 00080000 00000000 00000080 00000402 01000800 00188840 08100000 40009000 04028008 00800000 00000400 00081008 00820000 02000020 02412008 00000001 00000120 08000a80 01008040 00400010 00200c00 80000000 00404000 80000000 00000200 01020002 24020000 00000400 | 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 |