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BioLiP Library

PDB CCD ID: 60N
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N O6 P
InChI: InChI=1S/C7H8NO6P/c9-6(10)4-2-1-3-5(8-4)7(11)15(12,13)14/h1-3,7,11H,(H,9,10)(H2,12,13,14)/t7-/m0/s1
InChIKey: BMLFSBIYIPWZDN-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O
OpenEye OEToolkits 2.0.4c1cc(nc(c1)C(=O)O)C(O)P(=O)(O)O
CACTVS 3.385O[CH](c1cccc(n1)C(O)=O)[P](O)(O)=O
CACTVS 3.385O[C@H](c1cccc(n1)C(O)=O)[P](O)(O)=O
Name:6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid
ZINC: ZINC000584905155
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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