BDBM565 (3R,3aS,7aR)-hexahydro-2H-furo[2,3-b]pyran-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::(3S,4aS,8aS,2 R,3 S,3 R,3 aS,7 aR)-N-tert-Butyl-2-[2 -hydroxy-4 -phenyl-3 -[[[(3 -hexahydro-4 H-furo[2,3-b]pyranyl)oxy]carbonyl]amino]butyl]decahydroisoquinoline-3-carboxamide::Isoquinoline furanyl urethane analog. 5

SMILES [H][C@@]1(CO[C@@]2([H])OCCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C

InChI Key InChIKey=GGSRUTDSWCRZNI-UHFFFAOYSA-N

Data  1 IC50

  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 = 565   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Illinois At Chicago

LigandPNGBDBM565((3R,3aS,7aR)-hexahydro-2H-furo[2,3-b]pyran-3-yl N-...)
Affinity DataIC50: 4.20nMpH: 5.5 T: 2°CAssay Description:The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed