On Target NS5B_HCV1A 0.22/CHEMBL3644906
For the given ligand DB00955, we have found in our database that, being scored 0.22, the most similar ligand is CHEMBL3644906. Check out the elaboration below.
| DB00955 (Given Ligand) | CHEMBL3644906 (Similar Ligand) |
|---|---|
| CCN[C@H]2C[C@@H](N)[C@@H](O[C@H]1O/C(CN)=C\C[C@@H]1N)[C@@H](O)[C@H]2O[C@@H]3OC[C@@](C)(O)[C@@H](NC)[C@H]3O | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(c2ccc(N3CCOCC3)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 |
|
|
|
|
|
|
| 00000050 81000400 00100101 80010501 803800c0 00000000 000a3880 28000400 00200000 015001e0 00200000 40018000 80020002 03880000 02001008 002b9308 30a00044 00000140 13c0e000 00002201 00100020 100000b0 17008080 08100010 30000421 80000000 00400200 b4000021 00004202 00040010 0ce40000 00004a00 | 00014086 0d403400 00101120 85310f00 20080080 00018000 000a0004 a0003409 10800200 00528be8 00242404 5001b000 0e00f002 01042101 80421448 001a8108 12864010 00482000 48610850 00004a01 60100100 bc050e10 33020003 3204003a 02112400 00001002 08000000 902000ac 08008200 81060093 a4184000 01016270 |