SEQ2FUN

BioLiP

PDB CCD ID: CCP
Number of entries in BioLiP: 2
Chemical formula: C4 H11 O3 P
InChI: InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKey: UOKRBSXOBUKDGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)CCCC
OpenEye OEToolkits 1.5.0CCCCP(=O)(O)O
CACTVS 3.341CCCC[P](O)(O)=O
Name:BUTYLPHOSPHONATE
DrugBank: DB03999
ZINC: ZINC000029786428
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).