SEQ2FUN

BioLiP

PDB CCD ID: 45C
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Cl2 O2
InChI: InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
InChIKey: ACCHWUWBKYGKNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1cc(Cl)c(Cl)cc1O
ACDLabs 11.02Clc1cc(O)c(O)cc1Cl
OpenEye OEToolkits 1.7.0c1c(c(cc(c1Cl)Cl)O)O
Name:4,5-dichlorobenzene-1,2-diol
ChEMBL: CHEMBL1230231
ZINC: ZINC000000028147
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).