SEQ2FUN

BioLiP

PDB CCD ID: BP3
Number of entries in BioLiP: 2
Chemical formula: C12 H9 Cl O2
InChI: InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H
InChIKey: SNGROCQMAKYWRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2ccccc2c1c(O)c(O)ccc1
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2cccc(c2O)O)Cl
CACTVS 3.341Oc1cccc(c1O)c2ccccc2Cl
Name:2'-CHLORO-BIPHENYL-2,3-DIOL
DrugBank: DB01925
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).