P89 "z0176b"
| Id | 89 |
| Inchikey | TXLVGLOXMNZBCL-MRVPVSSYSA-N |
| Smiles | C[C@@H](N)c1nc(Cc2ccccc2)no1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | EXPERIMENT |
| Ligand_energy | 27.19696602245336 |
| Placement | Placement_89 "Zika_NS5A-x0176 w/ C88" |
Tags
| Tag | Type | Origin |
|---|---|---|
"z0176b" [Observation Code] |
Observation Code | Fragalysis |
"42a - z0176/A/1103" [ConformerSites] |
ConformerSites | Fragalysis/XCA |
"42 - z0176/A/1103/1" [CanonSites] |
CanonSites | Fragalysis/XCA |
"F4bi - z0176/A/1103" [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 |