SEQ2FUN

BioLiP

PDB CCD ID: GPF
Number of entries in BioLiP: 2
Chemical formula: C3 H8 N O5 P
InChI: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey: XDDAORKBJWWYJS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CNC[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)NCP(=O)(O)O
ACDLabs 10.04O=C(O)CNCP(=O)(O)O
Name:N-(phosphonomethyl)glycine
ChEMBL: CHEMBL95764
ZINC: ZINC000003872713
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).