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BioLiP

PDB CCD ID: KED
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N O4 P
InChI: InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)
InChIKey: KAIABXRDJQYKQE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O
CACTVS 3.385O[P](O)(=O)CC1=CC(=O)Nc2ccccc12
ACDLabs 12.01C2(=O)C=C(CP(=O)(O)O)c1ccccc1N2
Name:[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
ChEMBL: CHEMBL4553552
ZINC: ZINC000621485759
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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