P114 "z0375a"
| Id | 114 |
| Inchikey | HMXUYPBDUYSWMA-UHFFFAOYSA-N |
| Smiles | Cc1nccn1Cc1cccc(C#N)c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 5.476578326936064 |
| Placement | Placement_114 "Zika_NS5A-x0375 w/ C114" |
| Tag | Type | Origin |
|---|---|---|
"z0375a" [Observation Code] |
Observation Code | Fragalysis |
"10a - z0481/A/1201" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"10 - z0481/A/1201/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4s - z0211/A/1112" [CrystalformSites] |
CrystalformSites | Fragalysis/XCA |
"A1 - all" [Quatassemblies] |
Quatassemblies | Fragalysis/XCA |
"F4 - P43212" [Crystalforms] |
Crystalforms | Fragalysis/XCA |
"fragment screen" [Other] |
Other | Fragalysis Curator |
"Thumb Site 2 (P2)" [Other] |
Other | Fragalysis Curator |
"ZIKV" [Other] |
Other | Fragalysis Curator |
"upload_1 2024-12-06" [Other] |
Other | Fragalysis Curator |
"upload_2 2025-03-14" [Other] |
Other | Fragalysis Curator |