P81 "z0111b"
| Id | 81 |
| Inchikey | BILUZSWZYDFPMN-UHFFFAOYSA-N |
| Smiles | CNc1nccc2ccccc12 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 13.829970861347931 |
| Placement | Placement_81 "Zika_NS5A-x0111 w/ C80" |
Tags
| Tag | Type | Origin |
|---|---|---|
"z0111b" [Observation Code] |
Observation Code | Fragalysis |
"1a - z0351/A/1112" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"8a - z0111/A/1112" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"1 - z0351/A/1112/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"8 - z0111/A/1112/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4a - z0041/A/1201" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"F4r - z0111/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 |