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BioLiP

PDB CCD ID: SYC
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N O3 P
InChI: InChI=1S/C6H8NO3P/c8-11(9,10)5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10)
InChIKey: WVWCWWLEFNGDBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)Cc1ccccn1
OpenEye OEToolkits 1.7.0c1ccnc(c1)CP(=O)(O)O
ACDLabs 12.01O=P(O)(O)Cc1ncccc1
Name:(pyridin-2-ylmethyl)phosphonic acid
ChEMBL: CHEMBL1615245
ZINC: ZINC000039275106
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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