C20 H22 N8 O5
A1JPD
4-[[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-6,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,2,3-triazol-4-yl]methyl]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
4-[[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-6,8-dihydropur...Show more
Formula
Standard InChI
InChI=1S/C20H22N8O5/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(30)15(29)13(33-19)7-28-12(6-25-26-28)5-10-1-3-11(4-2-10)20(...Show more
Standard InChI Key
XTJPYRLPZJYDOR-OAIGWWADSA-N
SMILES
c1cc(ccc1Cc2cnnn2C[C@@H]3[C@H]([C@H]([C@@H](O3)N4CN=C5C4=NC=...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
Displayed: 1 / 2