SEQ2FUN

BioLiP

PDB CCD ID: KNL
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl2 O3
InChI: InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKey: KHZWIIFEFQBNKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)COc1c(Cl)cccc1Cl
ACDLabs 12.01Clc1cccc(Cl)c1OCC(=O)O
OpenEye OEToolkits 1.7.0c1cc(c(c(c1)Cl)OCC(=O)O)Cl
Name:(2,6-dichlorophenoxy)acetic acid
ChEMBL: CHEMBL361845
ZINC: ZINC000000123600
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).