SEQ2FUN

BioLiP

PDB CCD ID: TCZ
Number of entries in BioLiP: 3
Chemical formula: C6 H3 Cl3
InChI: InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: XKEFYDZQGKAQCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Clc1cc(Cl)cc(Cl)c1
OpenEye OEToolkits 1.5.0c1c(cc(cc1Cl)Cl)Cl
Name:1,3,5-TRICHLORO-BENZENE
ChEMBL: CHEMBL44228
DrugBank: DB03836
ZINC: ZINC000000391973
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).