SEQ2FUN

BioLiP

PDB CCD ID: 4X1
Number of entries in BioLiP: 1
Chemical formula: C12 H18 N2
InChI: InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2
InChIKey: OZWGXKVQFUBMTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1N(Cc2c(C1)cccc2)CCCN
OpenEye OEToolkits 1.9.2c1ccc2c(c1)CCN(C2)CCCN
CACTVS 3.385NCCCN1CCc2ccccc2C1
Name:3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine
ZINC: ZINC000004226739
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).