C17 H15 N5 O2
A1IO2
(2~{S})-3-(1~{H}-indol-3-yl)-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{S})-3-(1~{H}-indol-3-yl)-2-(7~{H}-pyrrolo[2,3-d]pyrimidi...Show more
Formula
Standard InChI
InChI=1S/C17H15N5O2/c23-17(24)14(7-10-8-19-13-4-2-1-3-11(10)13)22-16-12-5-6-18-15(12)20-9-21-16/h1-6,8-9,14,19H,7H2,(H,2...Show more
Standard InChI Key
NOYXATOHIUTWQW-CQSZACIVSA-N
SMILES
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)Nc3c4cc[nH]c4ncn3
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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