[14C]histidine   Click here for help

GtoPdb Ligand ID: 4623

Synonyms: [14C]-histidine
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 92
Molecular weight 155.07
XLogP -3.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

✖
Canonical SMILES NC(C(=O)O)Cc1c[nH]cn1
Isomeric SMILES N[14C@H](C(=O)O)Cc1c[nH]cn1
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)/t5-/m0/s1/i5+2
InChI Key HNDVDQJCIGZPNO-YDUYVQCESA-N
Other Isotopes/Labelled or Unlabelled Forms
L-histidine
Click here for ligand page
Targets
B0AT3; CaS receptor; High affinity cationic amino acid transporter 1; Histidine decarboxylase; Low affinity cationic amino acid transporter 2; Mitochondrial ornithine transporter 2; Peptide transporter 3; Peptide transporter 4; Sodium-coupled neutral amino acid transporter 3; Sodium-coupled neutral amino acid transporter 5; carbonic anhydrase 1; carbonic anhydrase 14; carbonic anhydrase 5A; carbonic anhydrase 7; sodium-coupled neutral amino acid transporter 4... click on ligand to see complete list
[3H]histidine
Click here for ligand page
Targets
Peptide transporter 3; Peptide transporter 4; Sodium-coupled neutral amino acid transporter 5