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BioLiP

PDB CCD ID: 0KG
Number of entries in BioLiP: 1
Chemical formula: C14 H20 N O5 P
InChI: InChI=1S/C14H20NO5P/c16-14(15-11-6-2-1-3-7-11)10-20-12-8-4-5-9-13(12)21(17,18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)(H2,17,18,19)
InChIKey: BDUNSMHXJWSVKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O
CACTVS 3.370O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCCC2
ACDLabs 12.01O=C(NC1CCCCC1)COc2ccccc2P(=O)(O)O
Name:{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid
ZINC: ZINC000013624745
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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