SEQ2FUN

BioLiP

PDB CCD ID: A1H3Z
Number of entries in BioLiP: 2
Chemical formula: C19 H19 N O2
InChI: InChI=1S/C19H19NO2/c1-14(21)7-8-16-12-20-19-10-9-17(11-18(16)19)22-13-15-5-3-2-4-6-15/h2-6,9-12,20H,7-8,13H2,1H3
InChIKey: ADXXLZSPGLMNER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
OpenEye OEToolkits 2.0.7CC(=O)CCc1c[nH]c2c1cc(cc2)OCc3ccccc3
Name:4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one
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).