P90 "z0184a"
| Id | 90 |
| Inchikey | MAVJTZKUNOKGPF-UHFFFAOYSA-N |
| Smiles | COc1ccc(NC(=O)CN)cc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 14.31040556338284 |
| Placement | Placement_90 "Zika_NS5A-x0184 w/ C90" |
| Tag | Type | Origin |
|---|---|---|
"z0184a" [Observation Code] |
Observation Code | Fragalysis |
"4a - z0136/A/1016" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"4 - z0136/A/1016/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4i - z0136/A/1016" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F4 - P43212" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"fragment screen" [Other] |
Other | Fragalysis Curator |
"Cavity B (S3) (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 |