C17 H15 Br N4 O3
A1DBP
(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-car...Show more
Formula
Standard InChI
InChI=1S/C17H15BrN4O3/c1-17(8-13(23)24,10-2-4-11(18)5-3-10)22-16(25)14-12-6-7-19-15(12)21-9-20-14/h2-7,9H,8H2,1H3,(H,22,...Show more
Standard InChI Key
GYJBYQDFYJPJSX-QGZVFWFLSA-N
SMILES
C[C@@](CC(=O)O)(c1ccc(cc1)Br)NC(=O)c2c3cc[nH]c3ncn2
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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