On Target CXCR4_HUMAN 0.11612903/CHEMBL2029608
For the given ligand NAPQI, we have found in our database that, being scored 0.11612903, the most similar ligand is CHEMBL2029608. Check out the elaboration below.
| NAPQI (Given Ligand) | CHEMBL2029608 (Similar Ligand) |
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| CC(=O)N=c1ccc(=O)cc1 | NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)\C=C\[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC1=O |
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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 | 00010010 0900b208 21900100 04110e00 00000000 00000000 02180040 2000240e 00200ac0 001808ca 08300000 4103b000 06029112 00012001 80000400 00140308 20000000 02000140 00010008 00021201 00000100 38250628 00008003 83500018 00200800 80000000 405a4000 90000100 0c000010 0006040b ac084000 00012600 |