SEQ2FUN

BioLiP

PDB CCD ID: 4WN
Number of entries in BioLiP: 1
Chemical formula: C15 H20 N4
InChI: InChI=1S/C15H20N4/c1-18-10-7-17-15(18)6-9-19-8-5-12-3-2-4-14(16)13(12)11-19/h2-4,7,10H,5-6,8-9,11,16H2,1H3
InChIKey: JGJLPCQCNSYHGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccnc1CCN2CCc3cccc(N)c3C2
ACDLabs 12.01C2Cc1cccc(c1CN2CCc3nccn3C)N
OpenEye OEToolkits 1.9.2Cn1ccnc1CCN2CCc3cccc(c3C2)N
Name:2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
ZINC: ZINC000381570064
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).