SEQ2FUN

BioLiP

PDB CCD ID: BP6
Number of entries in BioLiP: 2
Chemical formula: C12 H8 Cl2 O2
InChI: InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H
InChIKey: MCZUCSAAGDCHHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl
CACTVS 3.341Oc1cccc(c1O)c2c(Cl)cccc2Cl
ACDLabs 10.04Clc2cccc(Cl)c2c1c(O)c(O)ccc1
Name:2',6'-DICHLORO-BIPHENYL-2,6-DIOL
DrugBank: DB03259
ZINC: ZINC000002047793
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).