SEQ2FUN

BioLiP

PDB CCD ID: EJC
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O
InChI: InChI=1S/C11H13NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h3-6,8,12H,2,7H2,1H3
InChIKey: ZDJYYIGOESXISA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCOc1ccc2c(c1)cc[nH]2
CACTVS 3.385CCCOc1ccc2[nH]ccc2c1
Name:5-propoxy-1H-indole
ChEMBL: CHEMBL4593528
ZINC: ZINC000034449260
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).