On Target NS3_HCV1A 0.48262548/CHEMBL3645728
For the given ligand Danoprevir, we have found in our database that, being scored 0.48262548, the most similar ligand is CHEMBL3645728. Check out the elaboration below.
| Danoprevir (Given Ligand) | CHEMBL3645728 (Similar Ligand) |
|---|---|
| CC(C)(C)OC(=O)N[C@@H]6CCCCC/C=C\[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]5C[C@@H](OC(=O)N4Cc3cccc(F)c3C4)CN5C6=O | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c(C)c(C)c1C(C)=O)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)C1CC1 |
|
|
|
|
|
|
| 00050280 0dc07800 00100300 97310700 00100080 00018010 000a0001 a200140a 10800200 0050a8c8 00202400 5101b000 0e02c81a 01243303 805814a0 081a8008 12266200 02080140 40e12810 02004201 80020000 bc148e70 13008083 3254003c 02200001 c0281003 00c04200 9020002d 0c000300 81068487 a4064000 01012a70 | 0001808a 0d80b800 00100100 55300e10 04000020 00108012 100a2080 2200340d 10400100 00598898 00292404 40013000 8600c89a 0934a011 80420480 080c810c 02004000 02000026 40312400 00004201 84020000 bc0786f0 20806003 3254003c 02142000 40000000 08004010 9000100c 08000104 80060083 a4024200 01016270 |