On Target ACE_HUMAN 0.3027523/CHEMBL79212
For the given ligand NB001, we have found in our database that, being scored 0.3027523, the most similar ligand is CHEMBL79212. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL79212 (Similar Ligand) |
|---|---|
| Nc1ncnc2c1ncn2CCNCCCCCO | C[C@H](NC(CCN)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O |
|
|
|
|
|
|
| 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 | 00030000 01005400 00100000 04000400 00180080 00000010 00000000 20000000 00000000 00000180 00202000 40013000 06008012 01002003 80180000 00080008 10000000 00000000 00400000 00000201 00000000 30040e00 03000001 02100018 00000000 00000000 00000000 10000000 08000000 00040011 20004000 00002200 |