SEQ2FUN

BioLiP

PDB CCD ID: 8OB
Number of entries in BioLiP: 1
Chemical formula: C11 H7 Cl2 N O2
InChI: InChI=1S/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H
InChIKey: NWFAJOGQUGZVOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl
Name:4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol
ChEMBL: CHEMBL1428361
ZINC: ZINC000000040213
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).