SEQ2FUN

BioLiP

PDB CCD ID: CH8
Number of entries in BioLiP: 8
Chemical formula: C12 H9 Cl O2
InChI: InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
InChIKey: ZVTLRRZWZYDDLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc2cc(O)c(Oc1ccccc1)cc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)Oc2ccc(cc2O)Cl
CACTVS 3.370Oc1cc(Cl)ccc1Oc2ccccc2
Name:5-CHLORO-2-PHENOXYPHENOL
ChEMBL: CHEMBL149299
ZINC: ZINC000013559000
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).