SEQ2FUN

BioLiP

PDB CCD ID: TN7
Number of entries in BioLiP: 1
Chemical formula: C4 H12 N O3 P
InChI: InChI=1S/C4H12NO3P/c1-3-5-9(6,7)8-4-2/h3-4H2,1-2H3,(H2,5,6,7)
InChIKey: WWWOVWHNZIPEII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCNP(=O)(O)OCC
CACTVS 3.352CCN[P](O)(=O)OCC
ACDLabs 10.04O=P(O)(OCC)NCC
OpenEye OEToolkits 1.6.1CCN[P@](=O)(O)OCC
Name:ethyl hydrogen ethylamidophosphate
ZINC: ZINC000058633666
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).