C14 H14 N4 O S
A1BVB
N~2~-methyl-N-{6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-L-alaninamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N~2~-methyl-N-{6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-L-...Show more
Formula
Standard InChI
InChI=1S/C14H14N4OS/c1-10(15-2)14(19)18-13-5-3-4-11(17-13)6-7-12-8-16-9-20-12/h3-5,8-10,15H,1-2H3,(H,17,18,19)/t10-/m0/s...Show more
Standard InChI Key
SXGDRXXUUAHYAN-JTQLQIEISA-N
SMILES
C[C@@H](C(=O)Nc1cccc(n1)C#Cc2cncs2)NC
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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