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BioLiP

PDB CCD ID: SYD
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N O3 P
InChI: InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16)
InChIKey: JTYLHYFDHHMHKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O
CACTVS 3.370O[P](O)(=O)Cc1ccc(cn1)c2ccccc2
ACDLabs 12.01O=P(O)(O)Cc1ncc(cc1)c2ccccc2
Name:[(5-phenylpyridin-2-yl)methyl]phosphonic acid
ChEMBL: CHEMBL1615246
ZINC: ZINC000064744221
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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