SEQ2FUN

BioLiP

PDB CCD ID: PHH
Number of entries in BioLiP: 1
Chemical formula: C8 H2 Cl4 O2
InChI: InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
InChIKey: NMWKWBPNKPGATC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl
CACTVS 3.341Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl
OpenEye OEToolkits 1.5.0C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1
Name:4,5,6,7-TETRACHLORO-PHTHALIDE;
4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE
ChEMBL: CHEMBL357452
DrugBank: DB03302
ZINC: ZINC000002012697
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).