SEQ2FUN

BioLiP

PDB CCD ID: 6WS
Number of entries in BioLiP: 2
Chemical formula: C14 H8 Cl4
InChI: InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
InChIKey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.5c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl
Name:1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene
ChEMBL: CHEMBL363207
ZINC: ZINC000001530006
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).