On Target NS3_HCV1B 0.5049505/CHEMBL3921185
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.5049505, the most similar ligand is CHEMBL3921185. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL3921185 (Similar Ligand) |
|---|---|
| CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC3C(C1C(=O)NC(C#N)CC2CCNC2=O)C3(C)C | C=CC(=O)NC[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |
|
|
|
|
|
|
| 00030000 01003000 00100000 04000400 00000000 000000d0 10000000 20000008 00200000 80000080 00200000 50033000 0600801a 01402001 80000000 00080008 00400000 00000000 00002000 00000205 00000000 30040630 03000403 02300018 00000000 00000000 00000100 90000000 08000000 00040001 20004000 00802380 | 00010000 01003400 00100000 04000c00 00000000 00000010 00000004 20002408 05000000 000201a0 00200000 50013000 0e00a01a 01012011 80000000 00000000 00000010 00000101 00002050 00001201 00000100 300d0630 00000003 02100018 00001000 00000000 00080000 10000000 08000000 00040011 24024000 02002200 |