SEQ2FUN

BioLiP

PDB CCD ID: PYF
Number of entries in BioLiP: 2
Chemical formula: C6 H7 N O
InChI: InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCc1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)CO
Name:3-PYRIDINYLCARBINOL;
PYRIDIN-3-YLMETHANOL
ChEMBL: CHEMBL1235535
DrugBank: DB04145
ZINC: ZINC000000001799
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).