SEQ2FUN

BioLiP

PDB CCD ID: 3EU
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl2 O2
InChI: InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKey: RERINLRFXYGZEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc(cc(Cl)c1)CC(=O)O
OpenEye OEToolkits 1.7.6c1c(cc(cc1Cl)Cl)CC(=O)O
CACTVS 3.385OC(=O)Cc1cc(Cl)cc(Cl)c1
Name:(3,5-dichlorophenyl)acetic acid
ZINC: ZINC000033986325
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).