SEQ2FUN

BioLiP

PDB CCD ID: 5OS
Number of entries in BioLiP: 2
Chemical formula: C16 H10 Cl2 O3
InChI: InChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
InChIKey: XJYKKIXCQQOKHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(c(Cl)c1)c2cocc2c3ccc(O)cc3Cl
OpenEye OEToolkits 2.0.4c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O
Name:3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
ChEMBL: CHEMBL2332590
ZINC: ZINC000095590211
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).