SEQ2FUN

BioLiP

PDB CCD ID: TZQ
Number of entries in BioLiP: 9
Chemical formula: C12 H8 Cl F O4
InChI: InChI=1S/C12H8ClFO4/c13-9-5-7(1-3-10(9)14)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)
InChIKey: UXWZMHGDRKKRHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1
OpenEye OEToolkits 2.0.7c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F
Name:5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
ChEMBL: CHEMBL5307644
ZINC: ZINC000002521382
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).