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P47 "d0741a"





Id 47
Inchikey HYKOSRYWIURWQI-UHFFFAOYSA-N
Smiles NC(=S)Nc1ccccc1OC(F)(F)F
Mol
Is_fingerprinted False
Origin EXPERIMENT
Ligand_energy 44.73754701788248
Placement
Placement_47 "DNV2_NS5A-x0741 w/ C47"

Tags

Tag Type Origin
"d0741a" [Observation Code]
Observation Code Fragalysis
"13a - d0172/A/1701" [ConformerSites]
ConformerSites Fragalysis/XCA
"13 - d0172/A/1701/1" [CanonSites]
CanonSites Fragalysis/XCA
"F1ac - d0172/A/1701" [CrystalformSites]
CrystalformSites Fragalysis/XCA
"A1 - all" [Quatassemblies]
Quatassemblies Fragalysis/XCA
"F1 - I222" [Crystalforms]
Crystalforms Fragalysis/XCA
"DENV-2" [Other]
Other Fragalysis Curator
"fragment screen" [Other]
Other Fragalysis Curator
"RNA tunnel (P2)" [Other]
Other Fragalysis Curator
"upload_1 2024-12-06" [Other]
Other Fragalysis Curator