C6 H10 N3 O2
HIS
HISTIDINE
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
HISTIDINE
Formula
Standard InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
Standard InChI Key
HNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
Source OpenEye
Is part of
CLC_000834 CLC_000918 CLC_001456 CLC_001732 CLC_002203 CLC_003080 CLC_004006 PRD_000184 PRD_000196 PRD_000200 PRD_000259 PRD_000266 PRD_000267 PRD_000268 PRD_000298 PRD_000429 PRD_000430 PRD_000464 PRD_000780 PRD_000807 PRD_000809 PRD_000810 PRD_000816 PRD_000827 PRD_000829 PRD_000854 PRD_000855 PRD_000875 PRD_000922 PRD_001039 PRD_001070 PRD_001091 PRD_001094 PRD_001099 PRD_001102 PRD_001104 PRD_001156 PRD_001157 PRD_001159 PRD_001186 PRD_001187 PRD_001188 PRD_001222 PRD_001223 PRD_001224 PRD_001225 PRD_001226 PRD_001227 PRD_001229 PRD_002098 PRD_002261 PRD_002318 PRD_002370 PRD_002371 PRD_002404 PRD_002417 PRD_002425 PRD_002510 PRD_002516 PRD_002546 PRD_002557 PRD_002559.
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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