[3H]quisqualate   Click here for help

GtoPdb Ligand ID: 1370

PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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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 131.32
Molecular weight 189.04
XLogP -4.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cn1oc(=O)[nH]c1=O)N
Isomeric SMILES OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N
InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
InChI Key ASNFTDCKZKHJSW-REOHCLBHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
Database Links Click here for help
BindingDB Ligand 17660
ChEMBL Ligand CHEMBL279956
GtoPdb PubChem SID 135651194
PubChem CID 40539
RCSB PDB Ligand QUS
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UniChem Connectivity Search for chemical match using the InChIKey ASNFTDCKZKHJSW-REOHCLBHSA-N

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Tocris
L-Quisqualic acid
Cat. No. 0188