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BioLiP

PDB CCD ID: MPL
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N O6 P
InChI: InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1
InChIKey: CBNMAKRKGWDQHB-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1C
ACDLabs 10.04O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O
Name:N-METHYL-PYRIDOXAL-5'-PHOSPHATE
DrugBank: DB01639
ZINC: ZINC000012500943
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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