L-citrulline

Ligand id: 722

Name: L-citrulline

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 118.44
Molecular weight 175.1
XLogP -3.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-5-(carbamoylamino)pentanoic acid
Database Links
CAS Registry No. 372-75-8 (source: DrugBank)
ChEBI CHEBI:16349
ChEMBL Ligand CHEMBL444814
DrugBank Ligand DB00155
GtoPdb PubChem SID 135650512
PubChem CID 9750
RCSB PDB Ligand CIR
Search Google for chemical match using the InChIKey RHGKLRLOHDJJDR-BYPYZUCNSA-N
Search Google for chemicals with the same backbone RHGKLRLOHDJJDR
Search UniChem for chemical match using the InChIKey RHGKLRLOHDJJDR-BYPYZUCNSA-N
Search UniChem for chemicals with the same backbone RHGKLRLOHDJJDR
Wikipedia Citrulline