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BioLiP

PDB CCD ID: 2CT
Number of entries in BioLiP: 1
Chemical formula: C16 H18 N O7 P
InChI: InChI=1S/C16H18NO7P/c1-22-11-7-8-13(23-2)12(9-11)17-16(18)10-24-14-5-3-4-6-15(14)25(19,20)21/h3-9H,10H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKey: ZRSQIYJHXGHOBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)c2ccccc2OCC(=O)Nc1cc(OC)ccc1OC
CACTVS 3.370COc1ccc(OC)c(NC(=O)COc2ccccc2[P](O)(O)=O)c1
OpenEye OEToolkits 1.7.2COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC
Name:(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
ZINC: ZINC000009302840
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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