On Target RT_HIV1 0.33582088/CHEMBL4225865
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.33582088, the most similar ligand is CHEMBL4225865. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL4225865 (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=C(C)[C@@H]1CC[C@]2(CN(CCN(C)C)C(=O)CCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
|
|
|
|
|
|
| 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 | 00060000 01003800 00100302 44050600 00100000 00004000 80000080 2000040a 00000900 001808c0 08300000 40019800 04028002 00202000 00000402 00080008 00000400 02000020 02412000 00000201 01000100 38060e30 01008021 0250001c 01200000 80000000 00406000 d0000000 08400002 01060003 e4020000 00802e00 |