SEQ2FUN

BioLiP

PDB CCD ID: FT3
Number of entries in BioLiP: 2
Chemical formula: C13 H10 Cl2 O3
InChI: InChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2
InChIKey: GILJPGZIIDINED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
OpenEye OEToolkits 1.7.0c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl
Name:2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
ChEMBL: CHEMBL240806
ZINC: ZINC000028869360
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).