D-AP4   Click here for help

GtoPdb Ligand ID: 1443

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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-/m1/s1
InChI Key DDOQBQRIEWHWBT-GSVOUGTGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-amino-4-phosphonobutanoic acid
Database Links Click here for help
BindingDB Ligand 82006
CAS Registry No. 78739-01-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1319383
GtoPdb PubChem SID 135650159
PubChem CID 1550579
Search Google for chemical match using the InChIKey DDOQBQRIEWHWBT-GSVOUGTGSA-N
Search Google for chemicals with the same backbone DDOQBQRIEWHWBT
Search UniChem for chemical match using the InChIKey DDOQBQRIEWHWBT-GSVOUGTGSA-N
Search UniChem for chemicals with the same backbone DDOQBQRIEWHWBT

Product suppliers

View disclaimer

Tocris
D-AP4
Cat. No. 0102