P85 "z0136c"
Id | 85 |
Inchikey | DCOHDTHCOCZQTO-UHFFFAOYSA-N |
Smiles | CC(=O)Nc1cccc2cc[nH]c12 |
Mol |
|
Is_fingerprinted | False |
Origin | EXPERIMENT |
Ligand_energy | 18.76746310756382 |
Placement | Placement_85 "Zika_NS5A-x0136 w/ C83" |
Tag | Type | Origin |
---|---|---|
"z0136c" [Observation Code] |
Observation Code | Fragalysis |
"9a - z0437/A/1201" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"9 - z0437/A/1201/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4t - z0264/A/1201" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F4 - P43212" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"fragment screen" [Other] |
Other | Fragalysis Curator |
"ZIKV" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |