SEQ2FUN

BioLiP

PDB CCD ID: D3M
Number of entries in BioLiP: 6
Chemical formula: C8 H6 Cl2 O3
InChI: InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey: IWEDIXLBFLAXBO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1c(Cl)ccc(Cl)c1C(O)=O
OpenEye OEToolkits 1.5.0COc1c(ccc(c1C(=O)O)Cl)Cl
ACDLabs 10.04Clc1ccc(Cl)c(c1OC)C(=O)O
Name:3,6-dichloro-2-methoxybenzoic acid;
Dicamba
ChEMBL: CHEMBL476936
ZINC: ZINC000000126322
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).