SEQ2FUN

BioLiP

PDB CCD ID: FT2
Number of entries in BioLiP: 4
Chemical formula: C13 H9 Cl3 O2
InChI: InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2
InChIKey: XVCALTYAVXDHNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl
CACTVS 3.352Oc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl
Name:5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
ChEMBL: CHEMBL240805
ZINC: ZINC000028869356
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).