BDBM574158 2-amino-9-[(2R,5R,7R,8R,10R, 12aR,14R,15S,15aR,16S)-15-fluoro-16- hydroxy-2,10-dioxido-14-(6-oxo-1,6- dihydro-9H-purin-9-yl)-2,10- disulfanyloctahydro-12H-5,8- methanofuro[3,2-l][1,3,9,11,6,2,10] tetraoxathiadiphosphacyclotetradecin-7- yl]-1,9-dihydro-6H-purin-6-one (Diastereomer 1)::US11453697, Example 323

SMILES Nc1nc2c(ncn2[C@@H]2S[C@@H]3CO[P@@](=O)(S)O[C@H]4[C@H](F)[C@H](n5cnc6c(=O)[nH]cnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3O)c(=O)[nH]1

InChI Key InChIKey=KVUXLIVVVQCLJI-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 574158   

TargetStimulator of interferon genes protein [H232R](ZEBOV)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 574158BDBM574158(US11453697, Example 323 | 2-amino-9-[(2R,5R,7R,8R,...)
Affinity DataEC50:  3.70nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2022
Entry Details
US Patent