P100 "z0221a"
| Id | 100 |
| Inchikey | PDGRBWXZTBUJKY-UHFFFAOYSA-N |
| Smiles | Cc1cccc(O)c1NC(=O)c1ccncc1F |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 29.4835824337134 |
| Placement | Placement_100 "Zika_NS5A-x0221 w/ C100" |
| Tag | Type | Origin |
|---|---|---|
"z0221a" [Observation Code] |
Observation Code | Fragalysis |
"1a - z0351/A/1112" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"1 - z0351/A/1112/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4a - z0041/A/1201" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F4 - P43212" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"fragment screen" [Other] |
Other | Fragalysis Curator |
"RNA tunnel (P2)" [Other] |
Other | Fragalysis Curator |
"ZIKV" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |
"upload_2 2025-03-14" [Other] |
Other | Fragalysis Curator |