SEQ2FUN

BioLiP

PDB CCD ID: NE2
Number of entries in BioLiP: 2
Chemical formula: C12 H6 Cl4 O
InChI: InChI=1S/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H
InChIKey: RQGVZEFZWFEKQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl
CACTVS 3.341Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2
Name:3,3',4',5-TETRACHLOROBIPHENYL-4-OL
ChEMBL: CHEMBL1234677
ZINC: ZINC000006092189
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).