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BioLiP

PDB CCD ID: PMC
Number of entries in BioLiP: 24
Chemical formula: C7 H8 N O5 P
InChI: InChI=1S/C7H8NO5P/c9-7(10)6-5(2-1-3-8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)
InChIKey: ROSWJUKEABEPFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ncccc1C[P](O)(O)=O
ACDLabs 10.04O=C(O)c1ncccc1CP(=O)(O)O
OpenEye OEToolkits 1.5.0c1cc(c(nc1)C(=O)O)CP(=O)(O)O
Name:3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID
ChEMBL: CHEMBL354773
DrugBank: DB04406
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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