SEQ2FUN

BioLiP

PDB CCD ID: 2L2
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N4
InChI: InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)
InChIKey: IMWCZDDKZOUUNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc[nH]c1CN2CCc3cccc(N)c3C2
OpenEye OEToolkits 1.7.6Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N
ACDLabs 12.01n1c(c(nc1)CN3Cc2c(cccc2N)CC3)C
Name:2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
ChEMBL: CHEMBL3237627
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).