P111 "z0354a"
| Id | 111 |
| Inchikey | UVYFWYMZWQBGAQ-UHFFFAOYSA-N |
| Smiles | CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 21.389525118787198 |
| Placement | Placement_111 "Zika_NS5A-x0354 w/ C111" |
| Tag | Type | Origin |
|---|---|---|
"z0354a" [Observation Code] |
Observation Code | Fragalysis |
"29a - z0900/A/1017" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"29 - z0900/A/1017/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4av - z0354/A/1013" [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 |