SEQ2FUN

BioLiP

PDB CCD ID: FGT
Number of entries in BioLiP: 3
Chemical formula: C20 H14 O4
InChI: InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKey: KJFMBFZCATUALV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O
CACTVS 3.385Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
Name:3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;
phenolphthalein
ChEMBL: CHEMBL63857
DrugBank: DB04824
ZINC: ZINC000003831317
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).