P36 "d0479a"
| Id | 36 |
| Inchikey | AEOGPIJVSQTAII-UHFFFAOYSA-N |
| Smiles | O=S1(=O)CCN(Cc2ccco2)CC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 23.85321488017714 |
| Placement | Placement_36 "DNV2_NS5A-x0479 w/ C36" |
| Tag | Type | Origin |
|---|---|---|
"d0479a" [Observation Code] |
Observation Code | Fragalysis |
"23a - d0479/A/1707" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"23 - d0479/A/1707/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F1ap - d0479/A/1707" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F1 - I222" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"DENV-2" [Other] |
Other | Fragalysis Curator |
"fragment screen" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |
"upload_2 2025-03-14" [Other] |
Other | Fragalysis Curator |