C13 H15 N3 O2 S
GIU
~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
Formula
Standard InChI
InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1
Standard InChI Key
DPOHKNPOBZVTBK-NSHDSACASA-N
SMILES
c1cc2cnccc2c(c1)S(=O)(=O)N[C@H]3CCNC3
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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