SEQ2FUN

BioLiP

PDB CCD ID: GT1
Number of entries in BioLiP: 2
Chemical formula: C9 H14 N O6 P
InChI: InChI=1S/C9H14NO6P/c1-6-9(11)8(5-15-2)7(3-10-6)4-16-17(12,13)14/h3,11H,4-5H2,1-2H3,(H2,12,13,14)
InChIKey: RFYDYCIMPLKICN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COCc1c(O)c(C)ncc1CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)COC)O
ACDLabs 12.01O=P(O)(O)OCc1cnc(c(O)c1COC)C
Name:[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate;
ginkgotoxin, phosphorylated
ChEMBL: CHEMBL1086597
ZINC: ZINC000049113213
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).