SEQ2FUN

BioLiP

PDB CCD ID: 34Z
Number of entries in BioLiP: 3
Chemical formula: C7 H4 Cl2 O2
InChI: InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey: VPHHJAOJUJHJKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1ccc(C(=O)O)cc1Cl
CACTVS 3.341OC(=O)c1ccc(Cl)c(Cl)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C(=O)O)Cl)Cl
Name:3,4-dichlorobenzoate
ChEMBL: CHEMBL21015
ZINC: ZINC000000388271
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).