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BioLiP

PDB CCD ID: P7I
Number of entries in BioLiP: 3
Chemical formula: C2 H8 N O3 P
InChI: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey: QQVDJLLNRSOCEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCC[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(CP(=O)(O)O)N
ACDLabs 12.01O=P(O)(O)CCN
Name:(2-aminoethyl)phosphonic acid
ChEMBL: CHEMBL1321977
ZINC: ZINC000055157330
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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