SEQ2FUN

BioLiP

PDB CCD ID: CFA
Number of entries in BioLiP: 8
Chemical formula: C8 H6 Cl2 O3
InChI: InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey: OVSKIKFHRZPJSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)COc1ccc(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)O
ACDLabs 10.04Clc1cc(Cl)ccc1OCC(=O)O
Name:(2,4-DICHLOROPHENOXY)ACETIC ACID;
2,4-DICHLOROPHENOXYACETIC ACID
ChEMBL: CHEMBL367623
ZINC: ZINC000000057143
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).