3D Structure Inspector
Structure Overview
Ligand Interactions

4J1I - Overview - 3D Structure Inspector

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Display Compound Structure Het Het Names Het Formula
1HH
1HH
N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trif...
C19 H14 F5 N5 O2
DMS
DIMETHYL SULFOXIDE
DMS
DMSO
Dimethyl Sulfoxide
Dimethyl sulfoxide
Domoso
Infiltrina
Rimso 50
Rimso-50
SQ 9453
SQ-9453
Syntexan
DIMETHYL SULFOXIDE
C2 H6 O S
NA
/NA
NA
SODIUM ION
Na
PDB Code4J1I
TitleCRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-CYANO-PYRIDINE-2- CARBOXYLIC ACID [3-((4R,5R,6R)-2-AMINO-5-FLUORO-4-METHYL-6- TRIFLUOROMETHYL-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-4-FLUORO-PHENYL]- AMIDE
Deposition
Release
Last Modified
ObsoleteNo
ClassificationHYDROLASE/HYDROLASE INHIBITOR
Experiment TypeX-RAY DIFFRACTION
Space GroupP 61 2 2
Resol Range High2.01
Resol Range Low49.15
Pubmed Id23590342
Doi10.1021/JM400225M
PDB Chain4J1I_A (click to show/hide)