SEQ2FUN

BioLiP

PDB CCD ID: 5CL
Number of entries in BioLiP: 1
Chemical formula: C6 H Cl5
InChI: InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
ACDLabs 10.04
CACTVS 3.341		Clc1cc(Cl)c(Cl)c(Cl)c1Cl
Name:1,2,3,4,5-PENTACHLOROBENZENE
ChEMBL: CHEMBL44628
ZINC: ZINC000001577058
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).