SEQ2FUN

BioLiP

PDB CCD ID: 50Q
Number of entries in BioLiP: 1
Chemical formula: C12 H8 Cl2 O3
InChI: InChI=1S/C12H8Cl2O3/c13-11-2-1-9(6-12(11)14)17-10-4-7(15)3-8(16)5-10/h1-6,15-16H
InChIKey: MACRIRNSUBEWEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc2ccc(Oc1cc(O)cc(O)c1)cc2Cl
OpenEye OEToolkits 1.9.2c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl
CACTVS 3.385Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
Name:5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
ChEMBL: CHEMBL2443027
ZINC: ZINC000095920684
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).