SEQ2FUN

BioLiP

PDB CCD ID: A1IFA
Number of entries in BioLiP: 10
Chemical formula: C7 H18 N O2 P
InChI: InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
InChIKey: ONNMDRQRSGKZCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCP(=O)(CCCN)O
CACTVS 3.385CCCC[P](O)(=O)CCCN
Name:CGP-36742;
3-azanylpropyl(butyl)phosphinic acid;
SGS-742
ChEMBL: CHEMBL112797
DrugBank: DB05010
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).