SEQ2FUN

BioLiP

PDB CCD ID: 1SH
Number of entries in BioLiP: 3
Chemical formula: C3 H10 N O4 P
InChI: InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChIKey: HZDCAHRLLXEQFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(OCCNC)(O)O
OpenEye OEToolkits 1.7.6CNCCOP(=O)(O)O
CACTVS 3.370CNCCO[P](O)(O)=O
Name:2-(methylamino)ethyl dihydrogen phosphate
ChEMBL: CHEMBL3109285
ZINC: ZINC000001532889
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).