[3H]AP4   Click here for help

GtoPdb Ligand ID: 1412

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 6
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 130.66
Molecular weight 183.03
XLogP -4.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(CCP(=O)(O)O)N
Isomeric SMILES OC(=O)[C@H](CCP(=O)(O)O)N
InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChI Key DDOQBQRIEWHWBT-VKHMYHEASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-4-phosphonobutanoic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL33567
GtoPdb PubChem SID 135651136
PubChem CID 179394
RCSB PDB Ligand E7P
Search Google for chemical match using the InChIKey DDOQBQRIEWHWBT-VKHMYHEASA-N
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Search UniChem for chemical match using the InChIKey DDOQBQRIEWHWBT-VKHMYHEASA-N
Search UniChem for chemicals with the same backbone DDOQBQRIEWHWBT

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Tocris
L-AP4
Cat. No. 0103