P45 "d0644a"
| Id | 45 |
| Inchikey | ZYKYHSIACDLOCE-UHFFFAOYSA-N |
| Smiles | COc1ccc(C(=O)C2CCNCC2)cc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 16.14856093210978 |
| Placement | Placement_45 "DNV2_NS5A-x0644 w/ C45" |
| Tag | Type | Origin |
|---|---|---|
"d0644a" [Observation Code] |
Observation Code | Fragalysis |
"2a - d0249/A/1707" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"2 - d0249/A/1707/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F1d - d0153/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 |
"Thumb Site 2 (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 |