SEQ2FUN

BioLiP

PDB CCD ID: DUB
Number of entries in BioLiP: 4
Chemical formula: C6 H4 Cl2 O
InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)Cl)O)Cl
CACTVS 3.385Oc1c(Cl)cccc1Cl
Name:2,6-dichlorophenol
ChEMBL: CHEMBL282597
ZINC: ZINC000000164836
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).