On Target IKKB_HUMAN 0.21176471/CHEMBL1762621
For the given ligand NAPQI, we have found in our database that, being scored 0.21176471, the most similar ligand is CHEMBL1762621. Check out the elaboration below.
| NAPQI (Given Ligand) | CHEMBL1762621 (Similar Ligand) |
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| CC(=O)N=c1ccc(=O)cc1 | COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2 |
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| 00000000 00000000 00200000 00080400 00000000 00000000 10000000 12000402 01000020 00100003 00000000 40000001 00008000 00000000 00000000 00000080 00000800 00000000 00110000 00008040 00000001 20001680 00008000 00000810 00000000 00000000 40401000 00400800 00000010 00040000 06000000 00020000 | 00010002 01000000 00000000 00090520 00080000 00080000 00000080 00000402 01000000 00128000 00000000 40009000 04028028 00800000 00000401 00080008 00c20000 00000020 02412000 00020001 00000001 10000a80 01008400 00000810 00200002 00000000 00404000 80000000 00080200 00040000 24020000 00000080 |