SEQ2FUN

BioLiP

PDB CCD ID: 2CL
Number of entries in BioLiP: 4
Chemical formula: C8 H6 Cl2 O2
InChI: InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey: SFAILOOQFZNOAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1cccc(Cl)c1CC(=O)O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)Cl)CC(=O)O)Cl
CACTVS 3.341OC(=O)Cc1c(Cl)cccc1Cl
Name:(2,6-DICHLOROPHENYL)ACETIC ACID
ChEMBL: CHEMBL240293
ZINC: ZINC000000388514
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).