SEQ2FUN

BioLiP

PDB CCD ID: LA7
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O2
InChI: InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
InChIKey: PAGTXDLKXRBHFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc(c(n1)CO)O
ACDLabs 12.01Oc1ccc(nc1CO)C
CACTVS 3.385Cc1ccc(O)c(CO)n1
Name:2-(hydroxymethyl)-6-methylpyridin-3-ol
ChEMBL: CHEMBL1579537
ZINC: ZINC000000152878
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).