On Target CASP1_HUMAN 0.15107913/CHEMBL1412861
For the given ligand NAPQI, we have found in our database that, being scored 0.15107913, the most similar ligand is CHEMBL1412861. Check out the elaboration below.
| NAPQI (Given Ligand) | CHEMBL1412861 (Similar Ligand) |
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| CC(=O)N=c1ccc(=O)cc1 | C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8 |
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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 01000001 00100020 0c080600 22000008 00006010 0000a880 22100c82 01000100 20108280 00200004 40013000 0602800a 00002001 00020400 001c0004 00041000 00004020 02412000 00a20201 00100001 36040290 2080c861 02100812 00280000 00100000 00404600 900000c0 08000018 01460800 64025000 000002c0 |