SEQ2FUN

BioLiP

PDB CCD ID: A1H32
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N O
InChI: InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
InChIKey: JCQLPDZCNSVBMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(Oc1ccc2[nH]ccc2c1)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccc3c(c2)cc[nH]3
Name:5-phenylmethoxy-1~{H}-indole
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).