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BioLiP

PDB CCD ID: PAH
Number of entries in BioLiP: 11
Chemical formula: C2 H6 N O5 P
InChI: InChI=1S/C2H6NO5P/c4-2(3-5)1-9(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKey: LDKRAXXVBWHMRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NO)CP(=O)(O)O
CACTVS 3.341ONC(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)NO)P(=O)(O)O
Name:PHOSPHONOACETOHYDROXAMIC ACID
ChEMBL: CHEMBL328944
DrugBank: DB03645
ZINC: ZINC000005828202
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).
  • 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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