L-aspartic acid   Click here for help

GtoPdb Ligand ID: 3309

Synonyms: L-Asp | L-aspartate
PDB Ligand
Comment: This ligand entry also represents L-aspartate (CHEBI:29993), the carboxylate anion and salt form of the acid. It is in the aspartate form that the ligand is transported across cell membranes.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 100.62
Molecular weight 133.04
XLogP -3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC(C(=O)O)N
Isomeric SMILES OC(=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChI Key CKLJMWTZIZZHCS-REOHCLBHSA-N
Natural/Endogenous Targets
Target
GluN1
GluN2A
GluN2B
GluN2C
GluN2D
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
Glutamic acid decarboxylase 2
Glutamic acid decarboxylase 1
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Cation-chloride cotransporter 9
AGC2
Excitatory amino acid transporter 4
AGC1
Sialin 2
Excitatory amino acid transporter 1
Excitatory amino acid transporter 3
Excitatory amino acid transporter 2
Excitatory amino acid transporter 5
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluN1 Ligand is endogenous in the given species Hs Agonist Agonist - - -
[Binds to: glutamate site]
GluN2A Ligand is endogenous in the given species Hs Agonist Agonist - - -
[Binds to: glutamate site] GluN2D = GluN2B > GluN2C = GluN2A
GluN2B Ligand is endogenous in the given species Hs Agonist Agonist - - -
[Binds to: glutamate site] GluN2D = GluN2B > GluN2C = GluN2A
GluN2C Ligand is endogenous in the given species Hs Agonist Agonist - - -
[Binds to: glutamate site] GluN2D = GluN2B > GluN2C = GluN2A
GluN2D Ligand is endogenous in the given species Hs Agonist Agonist - - -
[Binds to: glutamate site] GluN2D = GluN2B > GluN2C = GluN2A
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Targets where the ligand is described in the comment field
Target Comment