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BioLiP

PDB CCD ID: V53
Number of entries in BioLiP: 0
Chemical formula: C11 H11 N2 O6 P
InChI: InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18)
InChIKey: WEQDULVFGDEUJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
OpenEye OEToolkits 2.0.7c1cc2c(cc(nc2c(c1)N)C(=O)O)OCP(=O)(O)O
Name:8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid
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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