SEQ2FUN

BioLiP

PDB CCD ID: 397
Number of entries in BioLiP: 2
Chemical formula: C14 H10 O3
InChI: InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H
InChIKey: SNNNDCMXZYWCCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc3cc(ccc3o2)O)O
CACTVS 3.341Oc1ccc(cc1)c2oc3ccc(O)cc3c2
ACDLabs 10.04Oc3ccc(c2oc1ccc(O)cc1c2)cc3
Name:2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL
ChEMBL: CHEMBL367588
DrugBank: DB07032
ZINC: ZINC000003816519
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).