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BioLiP

PDB CCD ID: 4PL
Number of entries in BioLiP: 4
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
InChIKey: HHPDVQLBYQFYFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1ncc2COC(=O)c2c1O
OpenEye OEToolkits 1.7.2Cc1c(c2c(cn1)COC2=O)O
ACDLabs 12.01O=C1OCc2c1c(O)c(nc2)C
Name:7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one;
4-Pyridoxolactone
ZINC: ZINC000000895443
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)(download the PDF file).
  • 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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