SEQ2FUN

BioLiP

PDB CCD ID: TF4
Number of entries in BioLiP: 4
Chemical formula: C2 H2 Cl2 O2
InChI: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04ClC(Cl)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)O)(Cl)Cl
CACTVS 3.341OC(=O)C(Cl)Cl
Name:DICHLORO-ACETIC ACID
ChEMBL: CHEMBL13960
DrugBank: DB08809
ZINC: ZINC000003830689
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).