On Target ACES_HUMAN 0.35625/CHEMBL154972
For the given ligand NB001, we have found in our database that, being scored 0.35625, the most similar ligand is CHEMBL154972. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL154972 (Similar Ligand) |
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| Nc1ncnc2c1ncn2CCNCCCCCO | N#CC(=C1Nc2ccccc2N1CCNCc3oc(CN4CCCCC4)cc3)C#N |
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| 0000000a 01801c00 00180000 48080620 00180040 0000c000 00008000 20000800 00600100 00000080 0020900c 40011000 00001002 01800000 00080880 100c000c 00000000 00000000 00400000 80200201 80000000 30000040 21800041 02100014 08000000 00000000 00000000 10000000 08000008 00460010 c0080000 00000ac0 | 00010082 01220400 00180100 40000600 041c00c0 00014000 00000000 22241400 00204101 000308c0 0120903c 70019020 c4001c1a 05402008 00000ce0 000c0004 10404020 02002400 00600200 00000201 c0000008 38008030 21800c01 06580010 08800020 40004000 04900010 98000010 08080100 00464011 64080000 00008e80 |