P42 "d0612a"
| Id | 42 |
| Inchikey | XARVCWHXIZRCGB-UHFFFAOYSA-N |
| Smiles | NC(=O)N1CCN(c2ccc(F)cc2)CC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 18.330850706488885 |
| Placement | Placement_42 "DNV2_NS5A-x0612 w/ C42" |
| Tag | Type | Origin |
|---|---|---|
"d0612a" [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 |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |