P61 "d0866a"
| Id | 61 |
| Inchikey | YDPJOGQGKXEOGX-GHMZBOCLSA-N |
| Smiles | C[C@@H]1[C@H](C(=O)N2CCCC2)CCCN1S(C)(=O)=O |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 39.30829854584215 |
| Placement | Placement_61 "DNV2_NS5A-x0866 w/ C61" |
| Tag | Type | Origin |
|---|---|---|
"d0866a" [Observation Code] |
Observation Code | Fragalysis |
"6a - d0254/A/1701" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"6 - d0254/A/1701/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F1m - d0160/A/1702" [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 |
"Primer grip/N-pocket (P2)" [Other] |
Other | Fragalysis Curator |
"unconfirmed" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |
"upload_2 2025-03-14" [Other] |
Other | Fragalysis Curator |