C24 H30 N4 O4
WT5
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H...Show more
Formula
Standard InChI
InChI=1S/C24H30N4O4/c1-15-8-16(20-6-3-7-25-20)10-19(9-15)26-11-17-4-2-5-18(27-17)12-28-13-22(30)24(32)23(31)21(28)14-29/...Show more
Standard InChI Key
FVGKDBDETCVPLQ-UEQSERJNSA-N
SMILES
Cc1cc(cc(c1)NCc2cccc(n2)CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)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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