SEQ2FUN

BioLiP

PDB CCD ID: BE1
Number of entries in BioLiP: 0
Chemical formula: C4 H9 Br N O5 P
InChI: InChI=1S/C4H9BrNO5P/c1-4(7)6(5)2-3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10)
InChIKey: DPNUMPJWOVYEOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(OCCN(Br)C(=O)C)O
OpenEye OEToolkits 1.5.0CC(=O)N(CCOP(=O)(O)O)Br
CACTVS 3.341CC(=O)N(Br)CCO[P](O)(O)=O
Name:N-BROMOACETYL-AMINOETHYL PHOSPHATE
DrugBank: DB02257
ZINC: ZINC000003874382
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).