C18 H17 N5 O3 S2
A1JM2
(2~{R},3~{R},4~{S},5~{S})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)oxolane-3,4-diol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{R},3~{R},4~{S},5~{S})-2-(4-azanylpyrrolo[2,3-d]pyrimidin...Show more
Formula
Standard InChI
InChI=1S/C18H17N5O3S2/c19-15-9-5-6-23(16(9)21-8-20-15)17-14(25)13(24)11(26-17)7-27-18-22-10-3-1-2-4-12(10)28-18/h1-6,8,1...Show more
Standard InChI Key
QDTKJDOQXHAGEV-LSCFUAHRSA-N
SMILES
c1ccc2c(c1)nc(s2)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4ccc5c4ncnc...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.
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