C30 H28 N5 O9 P
E
N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROB...Show more
Formula
Standard InChI
InChI=1S/C30H28N5O9P/c36-18-9-20(44-19(18)10-43-45(40,41)42)35-12-33-25-29(31-11-32-30(25)35)34-24-23-16-7-6-14-3-1-2-13...Show more
Standard InChI Key
PCKWPNBFFBGKTM-CYWHKOSGSA-N
SMILES
c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O...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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