SEQ2FUN

BioLiP

PDB CCD ID: 2BW
Number of entries in BioLiP: 1
Chemical formula: C8 H20 N O4 P
InChI: InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
InChIKey: QIIVUOWTHWIXFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOC(OCC)P(=O)(CCCN)O
ACDLabs 12.01O=P(O)(CCCN)C(OCC)OCC
CACTVS 3.385CCOC(OCC)[P](O)(=O)CCCN
Name:(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid;
CGP 35348
ChEMBL: CHEMBL40157
ZINC: ZINC000029330911
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).