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BioLiP

PDB CCD ID: Y04
Number of entries in BioLiP: 1
Chemical formula: C14 H13 Cl N O5 P
InChI: InChI=1S/C14H13ClNO5P/c15-10-5-1-2-6-11(10)16-14(17)9-21-12-7-3-4-8-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)
InChIKey: JDDBBUHKLPKHEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2Cl
OpenEye OEToolkits 1.7.6c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl
ACDLabs 12.01Clc2ccccc2NC(=O)COc1ccccc1P(=O)(O)O
Name:(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
ZINC: ZINC000009420424
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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