P91 "z0184b"
| Id | 91 |
| Inchikey | MAVJTZKUNOKGPF-UHFFFAOYSA-N |
| Smiles | COc1ccc(NC(=O)CN)cc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 16.370528865488435 |
| Placement | Placement_91 "Zika_NS5A-x0184 w/ C90" |
| Tag | Type | Origin |
|---|---|---|
"z0184b" [Observation Code] |
Observation Code | Fragalysis |
"7a - z0041/A/1112" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"7 - z0041/A/1112/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4p - z0364/A/1112" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F4 - P43212" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"fragment screen" [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 |