P16 "d0250a"
| Id | 16 |
| Inchikey | CTAOPYAHPUKQBH-UHFFFAOYSA-N |
| Smiles | CCn1c(NC(C)=O)nc2ccccc21 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 18.015740083778823 |
| Placement | Placement_16 "DNV2_NS5A-x0250 w/ C16" |
| Tag | Type | Origin |
|---|---|---|
"d0250a" [Observation Code] |
Observation Code | Fragalysis |
"32a - d0250/A/1701" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"32 - d0250/A/1701/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F1ay - d0250/A/1701" [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 |