P226 "6xd0-a"
| Id | 226 |
| Inchikey | ZBVLZAHLDOOBNG-UHFFFAOYSA-N |
| Smiles | O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NC1(C(=O)O)Cc2ccccc2C1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 55.09438780853952 |
| Placement | Placement_226 "6xd0 w/ C226" |
| Tag | Type | Origin |
|---|---|---|
"6xd0-a" [Observation Code] |
Observation Code | Fragalysis |
"12a - 3vws/A/1003" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"12 - 3vws/A/1003/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F2aa - 3vws/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 |