SEQ2FUN

BioLiP

PDB CCD ID: A1ED5
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O
InChI: InChI=1S/C8H9NO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5,9H2
InChIKey: GKULNTLNUHOMGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)COC2
CACTVS 3.385Nc1ccc2COCc2c1
Name:1,3-dihydro-2-benzofuran-5-amine;
1,3-Dihydroisobenzofuran-5-amine
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).