C26 H22 Cl N3 O2 S
I79
{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-d...Show more
Formula
Standard InChI
InChI=1S/C26H22ClN3O2S/c1-14-23(22-10-18(27)3-5-25(22)33-14)13-30-12-17(9-26(31)32)21-4-2-15(8-24(21)30)16-6-19(28)11-20...Show more
Standard InChI Key
PFDAXQGFXBAMGF-UHFFFAOYSA-N
SMILES
Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O
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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