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BioLiP

PDB CCD ID: 0KH
Number of entries in BioLiP: 1
Chemical formula: C14 H12 Cl2 N O5 P
InChI: InChI=1S/C14H12Cl2NO5P/c15-9-4-3-5-10(14(9)16)17-13(18)8-22-11-6-1-2-7-12(11)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21)
InChIKey: JRORPYPDXOLPLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2Cl
OpenEye OEToolkits 1.7.6c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O
ACDLabs 12.01Clc2c(NC(=O)COc1ccccc1P(=O)(O)O)cccc2Cl
Name:(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
ChEMBL: CHEMBL3813927
ZINC: ZINC000009419536
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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