SEQ2FUN

BioLiP

PDB CCD ID: 4ET
Number of entries in BioLiP: 1
Chemical formula: C13 H9 Cl O3
InChI: InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H
InChIKey: AXWPSTUQDSXPCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc(c(cc1)O)C(c2ccc(cc2)O)=O
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O
CACTVS 3.385Oc1ccc(cc1)C(=O)c2cc(Cl)ccc2O
Name:(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
ZINC: ZINC000584904858
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).