P229 "5hmw-a"
| Id | 229 |
| Inchikey | VAGQJIBPPQRDCK-UHFFFAOYSA-N |
| Smiles | O=C(O)Cc1cc(CC(=O)O)cc(-c2ccccc2)c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 29.338136526598475 |
| Placement | Placement_229 "5hmw w/ C229" |
| Tag | Type | Origin |
|---|---|---|
"5hmw-a" [Observation Code] |
Observation Code | Fragalysis |
"2a - d0249/A/1707" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"2 - d0249/A/1707/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F2c - 5hmx/A/1004/1" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F2 - C2221" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"DENV-3" [Other] |
Other | Fragalysis Curator |
"Thumb Site 2 (P2)" [Other] |
Other | Fragalysis Curator |
"external" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |