P225 "5k5m-a"
| Id | 225 |
| Inchikey | GFHHFWCGCHIDBF-UHFFFAOYSA-N |
| Smiles | COc1cccc(S(=O)(=O)NC(=O)c2cc(-c3ccc(C#CCO)s3)c(OC)cc2OC)c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 44.31907796216346 |
| Placement | Placement_225 "5k5m w/ C211" |
| Tag | Type | Origin |
|---|---|---|
"5k5m-a" [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 |
"Primer grip/N-pocket (P2)" [Other] |
Other | Fragalysis Curator |
"external" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |