SEQ2FUN

BioLiP

PDB CCD ID: PMH
Number of entries in BioLiP: 8
Chemical formula: C11 H14 N3 O7 P
InChI: InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)
InChIKey: PXWFNGNWQUPGPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O
Name:(5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
PMP-HYDROXYISOXAZOLE;
PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE
DrugBank: DB03097
ZINC: ZINC000002046808
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).