SEQ2FUN

BioLiP

PDB CCD ID: 2JY
Number of entries in BioLiP: 1
Chemical formula: C12 H8 Cl2 O4
InChI: InChI=1S/C12H8Cl2O4/c13-8-2-1-3-9(11(8)14)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16)
InChIKey: DGUXQMFHNWGUES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1oc(COc2cccc(Cl)c2Cl)cc1
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O
ACDLabs 12.01O=C(O)c1oc(cc1)COc2c(Cl)c(Cl)ccc2
Name:5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
ZINC: ZINC000000373418
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).