C34 H29 N O8
XIG
5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydro...Show more
Formula
Standard InChI
InChI=1S/C34H29NO8/c1-43-24-15-13-22(14-16-24)21-11-9-20(10-12-21)19-35(30-8-4-6-23-5-2-3-7-25(23)30)31(36)26-17-28(33(3...Show more
Standard InChI Key
RDVWBTCVLAKXDT-PMERELPUSA-N
SMILES
COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C...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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