SEQ2FUN

BioLiP

PDB CCD ID: TC7
Number of entries in BioLiP: 3
Chemical formula: C6 H3 Cl3 O
InChI: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey: LHJGJYXLEPZJPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1cc(O)c(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1c(c(cc(c1Cl)Cl)Cl)O
CACTVS 3.341Oc1cc(Cl)c(Cl)cc1Cl
Name:2,4,5-trichlorophenol
ChEMBL: CHEMBL109095
ZINC: ZINC000000002215
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).