SEQ2FUN

BioLiP

PDB CCD ID: 6H2
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N2 O2
InChI: InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H
InChIKey: JFYGSKNPLRBMMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1O)c2cn3ccccc3n2
ACDLabs 12.01c3(c1cn2c(n1)cccc2)cc(c(cc3)O)O
OpenEye OEToolkits 2.0.4c1ccn2cc(nc2c1)c3ccc(c(c3)O)O
Name:4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
ChEMBL: CHEMBL1527214
ZINC: ZINC000000238901
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).