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BioLiP

PDB CCD ID: Y06
Number of entries in BioLiP: 1
Chemical formula: C14 H13 Cl N O5 P
InChI: InChI=1S/C14H13ClNO5P/c15-10-4-3-5-11(8-10)16-14(17)9-21-12-6-1-2-7-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)
InChIKey: FTNJLVOFZPLMJE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2
ACDLabs 12.01Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)ccc2
OpenEye OEToolkits 1.7.6c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O
Name:(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
ZINC: ZINC000009419213
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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