On Target NS5B_HCV1B 0.30578512/CHEMBL3645202
For the given ligand Nirmatrelvir Modify, we have found in our database that, being scored 0.30578512, the most similar ligand is CHEMBL3645202. Check out the elaboration below.
| Nirmatrelvir Modify (Given Ligand) | CHEMBL3645202 (Similar Ligand) |
|---|---|
| CC(C)(c1ccccc1)C(NC(=O)C(F)(F)F)C(=O)N2CC4C(C2C(=O)NC(C#N)CC3CCNC3=O)C4(C)C | CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 |
|
|
|
|
|
|
| 00030000 01003200 00100100 04010600 00000000 000000d0 10000000 2000000c 00200880 800808c0 08300000 5003b000 0600801a 01402001 80000000 000c0008 00400000 02000000 00002008 00000205 00000100 38240630 03000403 83700018 00000800 80000000 00000100 90000000 0c000000 0006000b 20004000 00802780 | 00074006 0180de08 20180902 41310f00 211c0000 00004042 02040000 22001408 00100900 004909e0 09312024 40119800 84008c3b 01c00201 808a0040 000e200e 04a68000 02000104 08602008 00225203 e0100101 1c8b8e38 2180c800 9370001c 02104080 c0000048 00270280 9000108c 0c488306 0146005b c4068088 a8916fe0 |