SEQ2FUN

BioLiP

PDB CCD ID: 4CL
Number of entries in BioLiP: 3
Chemical formula: C6 H5 Cl O2
InChI: InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey: WWOBYPKUYODHDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)O)O
CACTVS 3.341Oc1ccc(Cl)cc1O
ACDLabs 10.04Clc1cc(O)c(O)cc1
Name:4-CHLOROBENZENE-1,2-DIOL
ZINC: ZINC000000388291
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).