SEQ2FUN

BioLiP

PDB CCD ID: PXP
Number of entries in BioLiP: 16
Chemical formula: C8 H12 N O6 P
InChI: InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
InChIKey: WHOMFKWHIQZTHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CO)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CO)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CO)O
Name:PYRIDOXINE-5'-PHOSPHATE
DrugBank: DB02209
ZINC: ZINC000001532705
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).