SEQ2FUN

BioLiP

PDB CCD ID: HLV
Number of entries in BioLiP: 0
Chemical formula: C14 H13 N O2
InChI: InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2
InChIKey: LFVBNMSDBXKNRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c12cc(ccc1oc3c2cccc3)OCCN
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c3cc(ccc3o2)OCCN
CACTVS 3.385NCCOc1ccc2oc3ccccc3c2c1
Name:2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
ChEMBL: CHEMBL5272748
ZINC: ZINC000012360277
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).