P222 "5iq6-a"
| Id | 222 |
| Inchikey | PTUWWNGMUPSKDC-MHZLTWQESA-N |
| Smiles | O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc(-c2ccccc2)c(=O)n2c1sc1ccc(OC3CCCCC3)cc12 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 70.8201612906896 |
| Placement | Placement_222 "5iq6 w/ C222" |
| Tag | Type | Origin |
|---|---|---|
"5iq6-a" [Observation Code] |
Observation Code | Fragalysis |
"12a - 3vws/A/1003" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"12 - 3vws/A/1003/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F2ab - 5iq6/A/1003/1" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F2 - C2221" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"DENV-3" [Other] |
Other | Fragalysis Curator |
"RNA tunnel (P2)" [Other] |
Other | Fragalysis Curator |
"external" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |