P51 "d0781a"
| Id | 51 |
| Inchikey | SMBREKYBPARCFW-UHFFFAOYSA-N |
| Smiles | O=C(c1ccco1)N1CCN(C(=O)C2CC2)CC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 36.997842347879214 |
| Placement | Placement_51 "DNV2_NS5A-x0781 w/ C51" |
| Tag | Type | Origin |
|---|---|---|
"d0781a" [Observation Code] |
Observation Code | Fragalysis |
"2a - d0249/A/1707" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"58a - d0781/A/2101" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"2 - d0249/A/1707/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"58 - d0781/A/2101/2" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F1e - d0567/A/1707" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"F1c - d0781/A/2101" [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 |