P221 "5i3q-a"
| Id | 221 |
| Inchikey | IGHQXATTWZGDIH-UHFFFAOYSA-N |
| Smiles | COc1cc(C)c(C(=O)NS(=O)(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 46.67311548539769 |
| Placement | Placement_221 "5i3q w/ C221" |
| Tag | Type | Origin |
|---|---|---|
"5i3q-a" [Observation Code] |
Observation Code | Fragalysis |
"5a - 5i3p/A/1003" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"5 - 5i3p/A/1003/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F2j - 5i3p/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 |
"Primer grip/N-pocket (P2)" [Other] |
Other | Fragalysis Curator |
"external" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |