SEQ2FUN

BioLiP

PDB CCD ID: LW7
Number of entries in BioLiP: 2
Chemical formula: C17 H17 N
InChI: InChI=1S/C17H17N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9H,10-13H2
InChIKey: GDEYQNLNJXESFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CCC2=NCCc3c2cccc3
CACTVS 3.385C1Cc2ccccc2C(=N1)CCc3ccccc3
Name:1-(2-phenylethyl)-3,4-dihydroisoquinoline
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).