P1 "d0135a"
| Id | 1 |
| Inchikey | IOOTXFHTMOUUHM-UHFFFAOYSA-N |
| Smiles | CCC(=O)NCc1nnc2n1CCCC2 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 25.44141430632544 |
| Placement | Placement_1 "DNV2_NS5A-x0135 w/ C1" |
| Tag | Type | Origin |
|---|---|---|
"d0135a" [Observation Code] |
Observation Code | Fragalysis |
"19a - d0135/A/1608" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"19 - d0135/A/1608/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F1al - d0135/A/1608" [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 |
"unconfirmed" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |