On Target GLRA3_HUMAN 0.03883495/CHEMBL4074873
For the given ligand NAPQI, we have found in our database that, being scored 0.03883495, the most similar ligand is CHEMBL4074873. Check out the elaboration below.
| NAPQI (Given Ligand) | CHEMBL4074873 (Similar Ligand) |
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| CC(=O)N=c1ccc(=O)cc1 | CN1C(=O)[C@@H]2CN(C[C@@H]2c3cnccc13)S(=O)(=O)c4ccc5occc5c4 |
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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 | 00020052 22a04600 01184100 01b00610 200c1200 00002050 1201a000 40200200 00604880 004909e0 00382034 60029000 4c008c03 00100981 80e20000 00040006 0004e004 0a000004 00600418 00007e03 e0100100 18248608 20804000 99480018 0a041800 0100000c 08028010 1800108c 04482400 21060a1b 00000080 20812670 |