SEQ2FUN

BioLiP

PDB CCD ID: 67L
Number of entries in BioLiP: 3
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-6,14H,7H2,(H,13,15)
InChIKey: HKHZGZONLACWBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccnc(c1)c2cc(cc(n2)CO)O
CACTVS 3.385OCc1cc(O)cc(n1)c2ccccn2
ACDLabs 12.01c1cccnc1c2cc(O)cc(n2)CO
Name:6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
ZINC: ZINC000149318260
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).