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BioLiP

PDB CCD ID: Y09
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N O6 P
InChI: InChI=1S/C15H16NO6P/c1-21-12-6-4-5-11(9-12)16-15(17)10-22-13-7-2-3-8-14(13)23(18,19)20/h2-9H,10H2,1H3,(H,16,17)(H2,18,19,20)
InChIKey: RAGQGGPMVFHHRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O
ACDLabs 12.01O=P(O)(O)c2ccccc2OCC(=O)Nc1cccc(OC)c1
CACTVS 3.370COc1cccc(NC(=O)COc2ccccc2[P](O)(O)=O)c1
Name:(2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
ChEMBL: CHEMBL4869639
ZINC: ZINC000009530991
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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