SEQ2FUN

BioLiP

PDB CCD ID: 0KC
Number of entries in BioLiP: 1
Chemical formula: C13 H18 N O5 P
InChI: InChI=1S/C13H18NO5P/c15-13(14-10-5-1-2-6-10)9-19-11-7-3-4-8-12(11)20(16,17)18/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)(H2,16,17,18)
InChIKey: OUYPHOGRFCIRMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O
CACTVS 3.370O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCC2
ACDLabs 12.01O=C(NC1CCCC1)COc2ccccc2P(=O)(O)O
Name:{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
ZINC: ZINC000009306561
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).