SEQ2FUN

BioLiP

PDB CCD ID: F52
Number of entries in BioLiP: 6
Chemical formula: C8 H5 Cl3 O3
InChI: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKey: SMYMJHWAQXWPDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)COc1cc(Cl)c(Cl)cc1Cl
OpenEye OEToolkits 2.0.6c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O
Name:2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid
ChEMBL: CHEMBL194458
ZINC: ZINC000000056520
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).