P201 "z0993b"
Id | 201 |
Inchikey | NDEZMUYBKJXUGJ-UHFFFAOYSA-N |
Smiles | NC(=O)c1ccnc(NC2CC=CC2)c1 |
Mol |
|
Is_fingerprinted | False |
Origin | EXPERIMENT |
Ligand_energy | 20.83017185827661 |
Placement | Placement_201 "Zika_NS5A-x0993 w/ C200" |
Tags
Tag | Type | Origin |
---|---|---|
"z0993b" [Observation Code] |
Observation Code | Fragalysis |
"3b - z0993/A/1113" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"3 - z0411/A/1104/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4g - z0411/A/1104" [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 |