SEQ2FUN

BioLiP

PDB CCD ID: 3CE
Number of entries in BioLiP: 1
Chemical formula: C6 H5 Cl O2
InChI: InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey: GQKDZDYQXPOXEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1cccc(Cl)c1O
OpenEye OEToolkits 1.7.0c1cc(c(c(c1)Cl)O)O
ACDLabs 11.02Clc1cccc(O)c1O
Name:3-chlorobenzene-1,2-diol
ZINC: ZINC000000895820
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).